The following 188 PDB codes constitute the dataset used to generate the water-inclusive Potential Two.
152l - Lysozyme mutant with ile 3 replaced by cys, ile 9 replaced by cys, thr 21 replaced by cys, cys 54 replaced by thr, thr 142 replaced by cys, and leu 164 replaced by cys (i3c,i9c,t21c,c54t,t142c,l164c) 154l - Lysozyme 183l - Lysozyme mutant with cys 54 replaced by thr, cys 97 replaced by ala, leu 99 replaced by ala (c54t,c97a,l99a) complexed with indene 1aba - Glutaredoxin mutant with val 15 replaced by gly and tyr 16 replaced by pro (v15g,y16p) 1adl - Adipocyte lipid-binding protein complexed with arachidonic acid 1ads - Aldose reductase complex with NADPH 1aky - Adenylate kinase. Chain: null. Synonym: atp\:amp phosphotransferase, myokinase. Heterogen: ap5a. Heterogen: imidazole 1arc - Achromobacter protease i complex with n(alpha)-p-tosyl-l-lysine chloromethylketone hydrochloride (tlck) 1aru - Peroxidase. Chain: null. Heterogen: cn. Other_details: ph 7.5 1asw - Avian sarcoma virus integrase catalytic core domain crystallized from 20% peg 4000, 10% isopropanol, hepes ph 7.5 Using selenomethionine substituted protein; data collected at -165 degrees c 1bcx - Xylanase (inactive form, endo-beta-1,4-xylanase) mutant with glu 172 replaced by cys (e172c) complexed with xylobiose 1bel - Hydrolase phosphoric diester, RNA 1bfb - Basic fibroblast growth factor complexed with heparin tetramer fragment 1bhp - Structure of beta-purothionin at room temperature and 1.7 Angstroms resolution 1bic - Carbonic anhydrase ii mutant with thr 200 replaced by his (t200h) complex with bicarbonate 1bkf - Fk506 binding protein fkbp mutant r42k/h87v complex with immunosuppressant fk506 1btl - Beta-lactamase tem1 1btn - Beta-spectrin. Chain: null. Fragment: ph domain, residues 2199 - 2304. Engineered: yes. Heterogen: d-myo-inositol-1,4,5-trisphosphate (ip3) 1bvc - Structure of a biliverdin apomyoglobin complex (form d) at 118 k 1can - Carbonic anhydrase ii complex with nitrate 1caz - Carbonic anhydrase ii mutant with glu 106 replaced by gln (e106q) complex with acetate 1cbn - Crambin 1ceg - Cephalothin complexed with dd-peptidase 1cfb - Drosophila neuroglian (chymotryptic fragment containing the two amino proximal fibronectin type iii repeats (residues 610 - 814)) 1cll - Calmodulin (vertebrate) 1cmp - CytochromE C peroxidase (recombinant yeast, ccp-mkt) mutant with trp 191 replaced by gly (w191g) complexed with 1,2-dimethylimadazole 1cnx - Carbonic anhydrase ii. Chain: null. Synonym: carbonate dehydratase, hca ii. Heterogen: benzenesulfonamide 1csn - Binary complex of casein kinase-1 with mgatp 1ctf - L7(slash) L12 50 s ribosomal protein (c-terminal domain) 1ctj - Crystal structure of cytochrome c6 1cyo - Cytochrome b5 (oxidized) 1dad - Dethiobiotin synthetase complexed with adp 1dag - Dethiobiotin synthetase complexed with 7-(carboxyamino) -8-amino-nonanoic acid and 5'-adenosyl-methylene-triphosphate 1dbs - Dethiobiotin synthetase 1det - Ribonuclease t1 carboxymethylated at glu 58 in complex with 2'gmp 1dif - HIV-1 protease in complex with a difluoroketone containing inhibitor a79285 1dmb - D-maltodextrin-binding protein 1drf - Dihydrofolate reductase complex with folate 1dyr - The structure of pneumocystis carinii dihydrofolate reductase to 1.9 Angstroms resolution 1eas - Elastase complexed with 3-[[(methylamino) sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1- (1-methylethyl)-2-oxopropyl]-1(2h)-pyridineacetamide 1eau - Elastase complexed with 2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)- n-[3,3-difluoro-1-isopropyl-2-oxo-3-(n-(2-morpholinoethyl) carbamoyl]propyl]acetamide 1emd - Malate dehydrogenase 1eno - Brassica napus enoyl acp reductase/NAD binary complex at ph 8.0 And room temperature 1fdx - Ferredoxin 1fel - Retinol binding protein complexed with fenretinide (fenretinide-rbp) 1fil - Actin-binding protein 1fkg - Fk506 binding protein (fkbp) complex with rotamase inhibitor (1r)-1,3-diphenyl-1-propyl (2s)-1-(3,3-dimethyl-1,2- dioxopentyl)-2-piperidinecarboxylate 1fmb - Eiav protease complexed with the inhibitor hby-793 1fnb - Ferredoxin:nadp+ oxidoreductase (ferredoxin reductase, flavoenzyme) 1fnc - Ferredoxin:nadp+ oxidoreductase (ferredoxin reductase, flavoenzyme) (dithionite-reduced) 1frb - Fr-1 protein/NADPH/zopolrestat complex 1frd - Heterocyst [2fe-2s] ferredoxin (oxidized, recombinant form) 1fua - L-fuculose 1-phosphate aldolase crystal form t 1gia - Gi alpha 1 (active form with bound gtp-gamma-s) 1gky - Guanylate kinase complex with guanosine monophosphate 1gma - Gramicidin a 1gnr - C-h-ras p21 protein complexed with p3-1[r]-(2-nitrophenyl)- ethyl-guanosine-5'-triphosphate (r-diastereomer) (residues 1 - 166) 1gsa - Structure of glutathione synthetase complexed with adp and glutathione 1han - 2,3-Dihydroxybiphenyl 1,2-dioxygenase. Chain: null. Synonym: biphenyl-2,3-diol 1,2-dioxygenase, dhbd, bphc. Mutation: wild-type. Heterogen: free-enzyme. Other_details: fe(ii) form under anaerobic conditions 1hck - Human cyclin-dependent kinase 2 1hfc - Fibroblast collagenase 1hml - Alpha lactalbumin complexed with zinc and calcium 1hnl - Lysozyme mutant with cys 77 replaced by ala (c77a) complexed with glutathione 1hpm - 44K atpase fragment (n-terminal) of 7okda heat-shock cognate protein 1hug - Carbonic anhydrase i complexed with gold cyanide inhibitor 1hxn - Hemopexin. Chain: null. Domain: c-terminal domain. Synonym: hpx. Heterogen: po4 1iag - Adamalysin ii (proteinase ii) 1igs - Indole-3-glycerolphosphate synthase from sulfolobus solfataricus at 2.0 A resolution 1inc - Porcine pancreatic elastase complex with benzoxazinone inhibitor 1ivd - Influenza a subtype n2 neuraminidase (sialidase) complexed with aromatic bana105 inhibitor (4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid) 1knt - Collagen type vi (kunitz-type domain c5 from the alpha 3 chain) 1lec - Lectin (fourth isolated from (griffonia simplicifolia)) (gs4) 1lic - Adipocyte lipid-binding protein complexed with hexadecanesulfonic acid 1lin - Calmodulin complexed with trifluoperazine (1:4 complex) 1llo - Hevamine a (a plant endochitinase/lysozyme) complexed with allosamidin 1lma - Lysozyme (88 percent humidity) 1lmc - Lysozyme. Chain: null. Synonym: mucopeptide n-acetylmuramylhydrolase. Heterogen: bulgecin a 1lzb - Lysozyme co-crystallized with tri-n-acetyl-chitotriose (ph 4.7) 1mai - Structure of the pleckstrin homology domain from phospholipasE C delta in complex with inositol trisphosphate 1mbd - Myoglobin (deoxy, p H 8.4) 1mdc - Fatty acid binding protein (manduca sexta) (mfb2) 1mdl - Mandelate racemase mutant k166r co-crystallized with (r)-mandelate 1mrk - Alpha-trichosanthin complexed with formycin 1mzm - Maize nonspecific lipid transfer protein complexed with palmitate 1nfp - Luxf gene product (nonfluorescent flavoprotein) complexed with myristic acid and fmn 1nnc - Influenza virus neuraminidase subtype n9 (tern) complexed with 4-guanidino-neu5ac2en inhibitor 1orb - Carboxymethylated rhodanese. Chain: null. Ec: 2.8.1.1 1oyb - Old yellow enzyme (oxidized) (oye) complexed with p-hydroxybenzaldehyde 1pbe - P-hydroxybenzoate hydroxylase (phbh) complexed with p-hydroxybenzoic acid 1pbp - Title: phosphate-binding protein (mutant with thr 141 replaced by asp) complexed with monobasic phosphate ion. Phosphate-binding protein substitution_mutations: ( native_residue: thr () 141() mutant_residue: asp () 141() ) heterogen: monobasic phosphate 1pca - Procarboxypeptidase a 1pch - Phosphocarrier protein. Chain: null. Synonym: hpr, histidine-containing protein. Engineered: yes 1pda - Porphobilinogen deaminase 1phc - Cytochrome p450-cam (camphor 5-monoxygenase) 1phe - Cytochrome p450-cam (camphor 5-monoxygenase) complex with 2-phenyl imidazole 1php - 3-Phosphoglycerate kinase (pgk) 1pk4 - Plasminogen kringle 4 1pnf - Pngase f complex with di-n-acetylchitobiose 1ppa - Phospholipase a2 lys 49 variant complex with cyclohexylamine 1ppn - Papain cys-25 with bound atom 1ppp - Papain complex with e64-c (form ii) 1puc - P13suc1 in a strand-exchanged dimer 1ras - Ribonuclease a fluorescent derivative [rnase 1-124 (aens-his-12)] from ammonium sulfate crystal 1rbw - Ribonuclease a (E.C.3.1.27.5) With guanidinium 1rca - Ribonuclease a. Chain: null. Synonym: rnase a. Heterogen: deoxycytidylyl-3',5'-guanosine (3',5'-dcpdg). Other_details: co-crystallized complex 1rcd - Bullfrog red cell l ferritin tartrate/mg/ph 5.5 1rcf - Flavodoxin complexed with flavin mononucleotide (fmn) 1rie - Structure of a water soluble fragment of the rieske iron-sulfur protein of the bovine heart mitochondrial cytochrome bc1-complex 1rn4 - Ribonuclease t=1= mutant with histidine 92 replaced by alanine (h92a) precipitant phosphate 1rnc - Ribonuclease a complex with cytidylyl-2',5'-guanosine (2',5'-cpg) 1rpg - Ribonuclease a complexed with deoxycytidyl-3',5'-deoxyadenosine (rnase a/d(cpa) 1rsm - Lys-7-(dinitrophenylene)- Lys-41 cross-linked ribonuclease A 1rsy - Synaptotagmin i (first c2 domain) (calb) 1rtu - Ustilago sphaerogena ribonuclease u2 1rza - Carbonic anhydrase ii with zinc replaced by cobalt(ii) 1rzd - Carbonic anhydrase ii with zinc replaced by manganese(ii) 1rze - Carbonic anhydrase ii with zinc replaced by nickel(ii) 1s01 - Subtilisin BPN (prime) 8350 (mutant with met 50 replaced by phe, asn 76 replaced by asp, gly 169 replaced by ala, gln 206 replaced by cys, tyr 217 replaced by lys, and asn 217 replaced by ser) ( M50F , N76D , G169A , Q206C , Y217K , and N218S ) in EDTA 1sbp - Sulfate-binding protein 1sgc - Proteinase A complex with chymostatin 1sty - Staphylococcal nuclease insertion mutant with glycine residue inserted in an alpha helix, between arg126 and lys127 (126g127) complex with calcium and inhibitor thymidine 3',5'-bisphosphate) 1sub - Subtilisin bpn' crb-s3 mutant with asn 218 replaced by ser, and ser 221 replaced by cys (n218s,s221c) 1sup - Subtilisin bpn'. Chain: null. Synonym: subtilisin novo. Heterogen: phenyl methyl sulfonate 1tca - Lipase (triacylglycerol hydrolase) 1tew - Lysozyme 1tgt - Trypsinogen (173 degrees k, 0.70 Methanol, 0.30 Water) 1thm - Thermitase 1thw - Thaumatin (tetragonal crystal form) 1tif - Translation initiation factor 3 n-terminal domain 1tla - Lysozyme (mutant with cys 54 replaced by thr, cys 97 replaced by ala, ser 117 replaced by phe) (c54t,c97a,s117f) 1tml - Endo-1,4-beta-d-glucanase 1tnh - Trypsin complexed with the inhibitor 4-fluorobenzylamine 1top - Troponin c 1tpp - Beta-trypsin complex with p-amidino-phenyl-pyruvate (appa) 1tys - Thymidylate synthase mutant with cys 146 replaced by ser (c146s) 1udg - Uracil-DNA glycosylase. Chain: null. Other_details: encoded by the ul2 orf of herpes simplex virus type 1 1udh - Uracil-DNA glycosylase. Chain: null. Heterogen: uracil. Other_details: encoded by the ul2 orf of herpes simplex virus type 1 1vhh - Sonic hedgehog. Chain: null. Domain: amino-terminal domain (residues 34 - 195). Synonym: hhg-1, vhh-1. Engineered: yes 1vid - Catechol o-methyltransferase 1xnb - Xylanase (endo-1,4-beta-xylanase) 1xzb - Fusarium solani cutinase mutant with ser 129 replaced by cys complex with mercury acetate 1xzl - Fusarium solani cutinase complex with n-hexylphosphonate ethyl ester 1ycc - CytochromE C (isozyme 1) (reduced) 1ydb - Carbonic anhydrase ii (carbonate dehydratase)(hca ii) mutant with leu 198 replaced by phe (l198f) complexed with transition state analog acetazolamide 1ymc - Cyanomet-sulfmyoglobin (horse heart) 2abk - Refinement of the native structure of endonuclease iii to a resolution of 1.85 Angstrom 2acq - Aldose reductase wild type complexed with NADP+ and glucose-6-phosphate 2acr - Aldose reductase wild type complexed with NADP+ and cacodylate 2acs - Aldose reductase wild type complexed with NADP+ and citrate 2alp - Alpha-lytic protease 2cbc - Carbonic anhydrase ii (50 mm tris, 3 m ammonium sulfate, 0.2 Formate, ph 7.6) 2cmd - Malate dehydrogenase 2ctc - Carboxypeptidase a complex with l-phenyl lactate (l-o-phe) 2cut - Cutinase complexed with the inhibitor diethyl para-nitrophenyl phosphate 2cy3 - Cytochrome c=3= 2dri - D-ribose-binding protein complexed with beta-d-ribose 2erl - Pheromone er-1 from 2gmt - Gamma chymotrypsin alkylated with n-acetyl-l-alanyl-l-phenylalanyl-alpha-chloroethylketone 2hft - Human tissue factor. Chain: null. Domain: extracellular domain, residues 1 - 219. Engineered: yes 2hts - Heat shock transcription factor (DNA binding domain) 2ilk - Crystal structure of human interleukin-10 at 1.6 Angstroms resolution 2imn - Immunoglobulin vl domain (variable domain of kappa light chain) of mcpc603 mutant in which complementarity-determining region i has been replaced by that from mopc167 2mb5 - Myoglobin (carbonmonoxymyoglobin) (neutron study) 2mcm - Macromomycin 2mhr - Myohemerythrin 2mlt - Melittin 2pia - Phthalate dioxygenase reductase 2por - Porin (crystal form b) 2prd - Pyrophosphate phosphohydrolase. Chain: null. Ec: 3.6.1.1 2ran - Annexin v 2sn3 - Scorpion neurotoxin (variant 3) 3chy - Che Y 3cla - Type III chloramphenicol acetyltransferase ( CAT=III= ) complex with chloramphenicol 3dfr - Dihydrofolate reductase complex with NADPH and methotrexate 3ebx - Erabutoxin b 3rn3 - Ribonuclease a 3rnt - Lys 25-ribonuclease t=1= (lys 25- RN ase t=1=) complex with vanadate (v) 4bp2 - Prophospholipase a=2= (phosphatide-2-acyl hydrolase) 4fgf - Basic fibroblast growth factor ( hb FGF ) 4lzm - Lysozyme (high salt) 5fd1 - Ferredoxin (oxidized) at ph 8 5p21 - C- H-ras p21 protein (amino acids 1 - 166) complex with guanosine-5'-(beta,gamma-imido) triphosphate (gpp Np) 5pti - Trypsin inhibitor (crystal form II ) 6est - Elastase crystallized in 10% DMF 6ldh - M=4= apo- Lactate dehydrogenase 7cpp - Cytochrome p450cam (camphor monooxygenase) - norcamphor complex 7gch - Gamma chymotrypsin with n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone bound at the active site 7rsa - Ribonuclease a (phosphate-free)