eF-site ID 2qdy-AB PDB Code 2qdy Chain A, B click to enlarge Title Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270 Classification LYASE Compound Nitrile hydratase subunit alpha Source ORGANISM_SCIENTIFIC: Rhodococcus erythropolis; Sequence A:  ENAAPAQAPVSDRAWALFRALDGKGLVPDGYVEGWKKTFE EDFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLG PQGEYIVAVEDTPTLKNVIVCSLXSXTAWPILGLPPTWYK SFEYRARVVREPRKVLSEMGTEIASDIEIRVYDTTAETRY MVLPQRPAGTEGWSQEQLQEIVTKDCLIGVAIPQVPT B:  MDGVHDLAGVQGFGKVPHTVNADIGPTFHAEWEHLPYSLM FAGVAELGAFSVDEVRYVVERMEPRHYMMTPYYERYVIGV ATLMVEKGILTQDELESLAGGPFPLSRPSESEGRPAPVET TTFEVGQRVRVRDEYVPGHIRMPAYCRGRVGTISHRTTEK WPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV VDLFEGYLEPA Description Functional site 1) chain A residue 110 type sequence C description BINDING SITE FOR RESIDUE FE A 300 source : AC1 2) chain A residue 114 type sequence S description BINDING SITE FOR RESIDUE FE A 300 source : AC1 3) chain B residue 121 type sequence T description BINDING SITE FOR RESIDUE CL B 2001 source : AC2 4) chain B residue 132 type sequence R description BINDING SITE FOR RESIDUE CL B 2001 source : AC2 5) chain B residue 208 type sequence L description BINDING SITE FOR RESIDUE CL B 2001 source : AC2 6) chain A residue 20 type sequence S description BINDING SITE FOR RESIDUE CL A 2002 source : AC3 7) chain A residue 24 type sequence W description BINDING SITE FOR RESIDUE CL A 2002 source : AC3 8) chain B residue 31 type sequence E description BINDING SITE FOR RESIDUE CL A 2002 source : AC3 9) chain B residue 32 type sequence W description BINDING SITE FOR RESIDUE CL A 2002 source : AC3 10) chain B residue 134 type sequence E description BINDING SITE FOR RESIDUE CL B 2003 source : AC4 11) chain B residue 135 type sequence Y description BINDING SITE FOR RESIDUE CL B 2003 source : AC4 12) chain B residue 192 type sequence S description BINDING SITE FOR RESIDUE CL B 2003 source : AC4 13) chain A residue 174 type sequence Q description BINDING SITE FOR RESIDUE CL A 2004 source : AC5 14) chain A residue 175 type sequence R description BINDING SITE FOR RESIDUE CL A 2004 source : AC5 15) chain A residue 91 type sequence Q description BINDING SITE FOR RESIDUE IBN B 1000 source : AC9 16) chain B residue 37 type sequence Y description BINDING SITE FOR RESIDUE IBN B 1000 source : AC9 17) chain B residue 40 type sequence M description BINDING SITE FOR RESIDUE IBN B 1000 source : AC9 18) chain B residue 72 type sequence Y description BINDING SITE FOR RESIDUE IBN B 1000 source : AC9 19) chain B residue 76 type sequence Y description BINDING SITE FOR RESIDUE IBN B 1000 source : AC9 20) chain A residue 40 type sequence Y description BINDING SITE FOR RESIDUE GOL A 1100 source : BC1 21) chain A residue 43 type sequence G description BINDING SITE FOR RESIDUE GOL A 1100 source : BC1 22) chain A residue 44 type sequence W description BINDING SITE FOR RESIDUE GOL A 1100 source : BC1 23) chain A residue 47 type sequence T description BINDING SITE FOR RESIDUE GOL A 1100 source : BC1 24) chain A residue 77 type sequence D description BINDING SITE FOR RESIDUE GOL A 1200 source : BC2 25) chain A residue 78 type sequence G description BINDING SITE FOR RESIDUE GOL A 1200 source : BC2 26) chain A residue 79 type sequence T description BINDING SITE FOR RESIDUE GOL A 1200 source : BC2 27) chain A residue 94 type sequence Y description BINDING SITE FOR RESIDUE GOL A 1200 source : BC2 28) chain A residue 95 type sequence I description BINDING SITE FOR RESIDUE GOL A 1200 source : BC2 29) chain B residue 158 type sequence T description BINDING SITE FOR RESIDUE GOL A 1200 source : BC2 30) chain A residue 139 type sequence R description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 31) chain A residue 140 type sequence E description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 32) chain B residue 11 type sequence Q description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 33) chain B residue 137 type sequence P description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 34) chain B residue 193 type sequence D description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 35) chain B residue 194 type sequence T description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 36) chain B residue 195 type sequence D description BINDING SITE FOR RESIDUE GOL B 1300 source : BC3 37) chain B residue 147 type sequence R description BINDING SITE FOR RESIDUE GOL B 1400 source : BC4 38) chain B residue 148 type sequence G description BINDING SITE FOR RESIDUE GOL B 1400 source : BC4 39) chain B residue 149 type sequence R description BINDING SITE FOR RESIDUE GOL B 1400 source : BC4 40) chain A residue 161 type sequence Y description BINDING SITE FOR RESIDUE GOL B 1500 source : BC5 41) chain B residue 154 type sequence S description BINDING SITE FOR RESIDUE GOL B 1500 source : BC5 42) chain B residue 155 type sequence H description BINDING SITE FOR RESIDUE GOL B 1500 source : BC5 43) chain B residue 181 type sequence H description BINDING SITE FOR RESIDUE GOL B 1500 source : BC5 44) chain A residue 65 type sequence W description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 45) chain A residue 66 type sequence T description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 46) chain A residue 67 type sequence D description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 47) chain A residue 68 type sequence P description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 48) chain A residue 175 type sequence R description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 49) chain B residue 92 type sequence Q description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 50) chain B residue 93 type sequence D description BINDING SITE FOR RESIDUE GOL B 1600 source : BC6 51) chain B residue 56 type catalytic sequence R description 57 source MCSA : MCSA1 52) chain B residue 72 type catalytic sequence Y description 57 source MCSA : MCSA1 53) chain B residue 76 type catalytic sequence Y description 57 source MCSA : MCSA1 54) chain A residue 115 type catalytic sequence X description 57 source MCSA : MCSA1 55) chain A residue 115 type MOD_RES sequence X description Cysteine sulfenic acid (-SOH) => ECO:0000269|PubMed:9586994 source Swiss-Prot : SWS_FT_FI3 56) chain A residue 110 type BINDING sequence C description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ source Swiss-Prot : SWS_FT_FI1 57) chain A residue 113 type BINDING sequence X description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ source Swiss-Prot : SWS_FT_FI1 58) chain A residue 114 type BINDING sequence S description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ source Swiss-Prot : SWS_FT_FI1 59) chain A residue 115 type BINDING sequence X description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ source Swiss-Prot : SWS_FT_FI1 60) chain A residue 113 type MOD_RES sequence X description Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:9368004, ECO:0000269|PubMed:9586994 source Swiss-Prot : SWS_FT_FI2

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