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1GK9

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 Residues6
DetailsBINDING SITE FOR RESIDUE CA B1579
ChainResidue
AGLU152
BASP73
BVAL75
BASP76
BPRO205
BASP252

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A1210
ChainResidue
AILE153
AASP154
BILE77
ATHR150
ASER151
AGLU152

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A1211
ChainResidue
ALEU181
AVAL182
ALYS200
APHE201
AGLN203
AHOH2253

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A1212
ChainResidue
ALEU156
ATHR160
ALYS163
AASN205
AHOH2254

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1558
ChainResidue
BSER234
BTYR236
BEDO1574
BHOH2647
BHOH2648
BHOH2649
BHOH2662

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B1559
ChainResidue
BPHE256
BLEU257
BASN388
BLYS394
BHOH2449
BHOH2650

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B1560
ChainResidue
APHE146
BSER1
BGLN23
BALA69
BASN241
BEDO1562
BEDO1564
BHOH2446

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1561
ChainResidue
BASP293
BLEU294
BASN295
BGLY375
BTYR376
BASN388
BHOH2651

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B1562
ChainResidue
BSER1
BPHE24
BSER67
BTHR68
BALA69
BEDO1560

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1563
ChainResidue
ATYR197
APHE201
BASP73
BARG199
BLEU221
BHOH2248
BHOH2301

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1564
ChainResidue
BARG263
BSER386
BASN388
BEDO1560
BHOH2446
BHOH2652
BHOH2653

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B1565
ChainResidue
BALA79
BPRO208
BPRO210
BHOH2655

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B1566
ChainResidue
ALYS179
ALEU181
BASP73
BPRO205
BARG206
BALA250
BSER251
BASP252
BHOH2656

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B1567
ChainResidue
BASN185
BASN187
BHOH2397
BHOH2657

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B1568
ChainResidue
BASP327
BILE329
BEDO1571
BEDO1578

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B1569
ChainResidue
AGLN37
AASP38
BSER508
BASP518
BHOH2658

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B1570
ChainResidue
BGLN200
BSER201
BGLY202
BHIS203
APHE201
AASN202

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B1571
ChainResidue
BGLN288
BARG291
BILE329
BEDO1568
BHOH2659

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B1572
ChainResidue
BGLY375
BSER386
BLEU387
BASN388
BHOH2653
BHOH2660

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1573
ChainResidue
BARG291
BGLU475
BGLN477
BGLU529
BASN530
BHOH2600
BHOH2661

site_idCC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B1574
ChainResidue
APRO187
ATHR188
BALA238
BVAL264
BASP268
BEDO1558
BHOH2662

site_idCC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE EDO B1575
ChainResidue
AASN196
ATYR197
APRO198
BGLU224
BMET225
BASN226
BPRO227
BLYS228
BGLN245
BHOH2664
BHOH2665

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B1576
ChainResidue
BARG269
BARG297
BPRO301
BHOH2666

site_idCC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B1577
ChainResidue
BLYS10
BGLU272
BPRO275
BHOH2667
BHOH2668

site_idCC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B1578
ChainResidue
BARG325
BTRP326
BASP327
BEDO1568
BHOH2669

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
BASN241
BSER1
BALA69

site_idMCSA1
Number of Residues3
DetailsM-CSA 841
ChainResidueDetails
BSER1nucleofuge, nucleophile, proton acceptor, proton donor
BALA69electrostatic stabiliser
BASN241electrostatic stabiliser

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PDB entries from 2024-09-04

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