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1GM7

Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism

Functional Information from GO Data
ChainGOidnamespacecontents
A0016787molecular_functionhydrolase activity
A0016811molecular_functionhydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
A0017000biological_processantibiotic biosynthetic process
B0016787molecular_functionhydrolase activity
B0017000biological_processantibiotic biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE PNN B 1577
ChainResidue
AMET142
BEDO1575
BHOH2450
BHOH2672
BHOH2673
BHOH2674
BHOH2675
BHOH2677
APHE146
ASER149
BSER1
BGLN23
BPHE24
BALA69
BPHE71
BEDO1562

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 1576
ChainResidue
AGLU152
BASP73
BVAL75
BASP76
BPRO205
BASP252

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1210
ChainResidue
AVAL182
ALYS200
APHE201
AGLN203
AHOH2088
AHOH2251

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1211
ChainResidue
ATHR150
ASER151
AGLU152
AILE153
AHOH2252
BHOH2184

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 1558
ChainResidue
APRO187
ATHR188
BALA238
BVAL264
BASP268
BHOH2649

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 1559
ChainResidue
BALA241
BPHE256
BLEU257
BASN388
BLYS394
BHOH2318
BHOH2454

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE EDO B 1560
ChainResidue
APHE146
ASER147
AASP148
ASER149
AHOH2167
BALA69
BGLY70
BPHE71
BTHR176
BHOH2650
BHOH2651

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1561
ChainResidue
BALA79
BPRO208
BPRO210

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 1562
ChainResidue
BALA255
BPNN1577
BHOH2653
BHOH2654

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 1563
ChainResidue
ATYR197
APHE201
BASP73
BARG199
BLEU221
BHOH2261
BHOH2312

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 1564
ChainResidue
BASP327
BILE329
BEDO1566
BHOH2656

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1565
ChainResidue
AGLN37
AASP38
BSER508
BASP518
BHOH2657

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1566
ChainResidue
BGLN288
BARG291
BILE329
BEDO1564
BHOH2658

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 1567
ChainResidue
ALYS179
AHOH2203
BASP73
BPRO205
BARG206
BALA250
BSER251
BASP252

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1568
ChainResidue
BLYS10
BGLU272
BHOH2659

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 1569
ChainResidue
BLYS274
BHOH2661
BHOH2662
BHOH2663
ATHR125
BGLN273

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1570
ChainResidue
BGLY375
BLEU387
BASN388
BSER390
BHOH2664

site_idBC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 1571
ChainResidue
BSER290
BARG291
BASN330
BTRP339
BLEU387
BASN478
BHOH2356
BHOH2666

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 1572
ChainResidue
BARG291
BGLU475
BGLU529
BASN530
BHOH2604
BHOH2667

site_idCC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B 1573
ChainResidue
ATYR197
AHOH2229
BGLU224
BMET225
BASN226
BPRO227
BLYS228
BGLN245
BHOH2668

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 1574
ChainResidue
BLYS274
BGLN281
BHOH2669
BHOH2670

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 1575
ChainResidue
BPHE71
BASN388
BPNN1577
BHOH2665

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile
ChainResidueDetails
BSER1

site_idSWS_FT_FI2
Number of Residues5
DetailsBINDING:
ChainResidueDetails
BASP73
BVAL75
BASP76
BPRO205
BASP252

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pnl
ChainResidueDetails
BALA241
BSER1
BALA69

site_idMCSA1
Number of Residues3
DetailsM-CSA 841
ChainResidueDetails
BSER1nucleofuge, nucleophile, proton acceptor, proton donor
BALA69electrostatic stabiliser
BALA241electrostatic stabiliser

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PDB entries from 2024-05-01

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