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2BU9

Isopenicillin N synthase complexed with L-aminoadipoyl-L-cysteinyl-L- hexafluorovaline

Functional Information from GO Data
ChainGOidnamespacecontents
A0005506molecular_functioniron ion binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0009058biological_processbiosynthetic process
A0016216molecular_functionisopenicillin-N synthase activity
A0016491molecular_functionoxidoreductase activity
A0017000biological_processantibiotic biosynthetic process
A0031418molecular_functionL-ascorbic acid binding
A0042318biological_processpenicillin biosynthetic process
A0044283biological_processsmall molecule biosynthetic process
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FE A1332
ChainResidue
AHIS214
AASP216
AHIS270
AHFV1333
AHOH2337
AHOH2463

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A1334
ChainResidue
AHOH2243
AHOH2467
AHOH2468
AHOH2469
AHOH2470
AHOH2471
AARG53
AASP140
APHE141

site_idAC3
Number of Residues24
DetailsBINDING SITE FOR RESIDUE HFV A1333
ChainResidue
AARG87
ATYR91
AVAL100
ASER183
AILE187
ATYR189
APHE211
AHIS214
AASP216
AVAL272
APHE285
ALEU324
ATHR331
AFE1332
AHOH2187
AHOH2349
AHOH2405
AHOH2406
AHOH2461
AHOH2462
AHOH2463
AHOH2464
AHOH2465
AHOH2466

Functional Information from PROSITE/UniProt
site_idPS00185
Number of Residues10
DetailsIPNS_1 Isopenicillin N synthase signature 1. KkAveSfCYL
ChainResidueDetails
ALYS97-LEU106

site_idPS00186
Number of Residues14
DetailsIPNS_2 Isopenicillin N synthase signature 2. LInCGSymAhlTnN
ChainResidueDetails
ALEU250-ASN263

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000269|PubMed:10537113, ECO:0000269|PubMed:28703303, ECO:0000269|PubMed:9194566, ECO:0007744|PDB:1BK0, ECO:0007744|PDB:1QJE, ECO:0007744|PDB:2BJS
ChainResidueDetails
AARG87
ATYR91
ATYR189
AASP216
ASER281

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10537113, ECO:0000269|PubMed:28703303, ECO:0000269|PubMed:9194566, ECO:0007744|PDB:1QJE, ECO:0007744|PDB:2BJS
ChainResidueDetails
ASER183

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10537113, ECO:0000269|PubMed:9194566, ECO:0007744|PDB:1QJE
ChainResidueDetails
AHIS214

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00805, ECO:0007744|PDB:1BK0, ECO:0007744|PDB:1BLZ, ECO:0007744|PDB:1HB1, ECO:0007744|PDB:1HB2, ECO:0007744|PDB:1HB3, ECO:0007744|PDB:1HB4, ECO:0007744|PDB:1OBN, ECO:0007744|PDB:1OC1, ECO:0007744|PDB:1ODM, ECO:0007744|PDB:1ODN, ECO:0007744|PDB:1QIQ, ECO:0007744|PDB:1QJE, ECO:0007744|PDB:1QJF, ECO:0007744|PDB:1UZW, ECO:0007744|PDB:1W03, ECO:0007744|PDB:1W04, ECO:0007744|PDB:1W05, ECO:0007744|PDB:1W06, ECO:0007744|PDB:1W3V, ECO:0007744|PDB:1W3X, ECO:0007744|PDB:2BU9, ECO:0007744|PDB:2IVI, ECO:0007744|PDB:2IVJ, ECO:0007744|PDB:2JB4, ECO:0007744|PDB:2VAU, ECO:0007744|PDB:2VBB, ECO:0007744|PDB:2VBD, ECO:0007744|PDB:2VBP, ECO:0007744|PDB:2VCM, ECO:0007744|PDB:2VE1, ECO:0007744|PDB:2WO7, ECO:0007744|PDB:2Y60, ECO:0007744|PDB:2Y6F, ECO:0007744|PDB:3ZKU, ECO:0007744|PDB:3ZOI, ECO:0007744|PDB:4BB3
ChainResidueDetails
AHIS270

site_idSWS_FT_FI5
Number of Residues1
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00805
ChainResidueDetails
AARG279

site_idSWS_FT_FI6
Number of Residues1
DetailsSITE: Transition state stabilizer => ECO:0007744|PDB:1QJE
ChainResidueDetails
APHE211

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1qje
ChainResidueDetails
APHE211

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1qje
ChainResidueDetails
ALEU186

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1qje
ChainResidueDetails
AHIS82

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1qje
ChainResidueDetails
AILE75

site_idMCSA1
Number of Residues4
DetailsM-CSA 145
ChainResidueDetails
APHE211polar/non-polar interaction, steric role
AHIS214metal ligand
AASP216metal ligand
AHIS270metal ligand

226707

PDB entries from 2024-10-30

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