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1W1Y

Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Tyr-L-Pro) at 1.85 A resolution

Functional Information from GO Data
ChainGOidnamespacecontents
A0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
A0004568molecular_functionchitinase activity
A0005576cellular_componentextracellular region
A0005975biological_processcarbohydrate metabolic process
A0006032biological_processchitin catabolic process
A0008061molecular_functionchitin binding
A0016798molecular_functionhydrolase activity, acting on glycosyl bonds
A0030246molecular_functioncarbohydrate binding
B0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
B0004568molecular_functionchitinase activity
B0005576cellular_componentextracellular region
B0005975biological_processcarbohydrate metabolic process
B0006032biological_processchitin catabolic process
B0008061molecular_functionchitin binding
B0016798molecular_functionhydrolase activity, acting on glycosyl bonds
B0030246molecular_functioncarbohydrate binding
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A1505
ChainResidue
AARG420
AHOH2493
AHOH2494
BLYS386
BARG420

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A1506
ChainResidue
AHOH2497
AHOH2498
APRO281
ASER282
AHOH2495
AHOH2496

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE TYP A1507
ChainResidue
ATYR10
APHE51
AGLY96
ATRP97
ATYR98
AASP142
AGLU144
AMET212
ATYR214
AASP215
ATYR292
AILE339
ATRP403
ATYP1508
AHOH2197
AHOH2499

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TYP A1508
ChainResidue
APHE12
APHE51
AGLY96
ATRP97
ATYR98
AASP336
ATRP403
ATYP1507
AHOH2134

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE TYP A1509
ChainResidue
ATRP97
APHE191
ATRP220
AHOH2500
AHOH2501
BTYR481
BTHR483

site_idAC6
Number of Residues16
DetailsBINDING SITE FOR RESIDUE TYP B1506
ChainResidue
BTYR10
BPHE51
BGLY96
BTRP97
BTYR98
BASP142
BGLU144
BTYR214
BASP215
BTYR292
BARG294
BTRP403
BTYP1507
BTYP1508
BHOH2213
BHOH2349

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TYP B1507
ChainResidue
BPHE12
BPHE51
BGLY96
BTRP97
BTYR98
BASP334
BASP336
BTRP403
BTYP1506
BHOH2368
BHOH2562
BHOH2563

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TYP B1508
ChainResidue
ATYR481
ATHR483
AHOH2455
BTRP97
BTRP220
BTYP1506
BHOH2363
BHOH2364
BHOH2564

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE TYP B1509
ChainResidue
BARG162
BASN166
BPRO178
BALA204
BPRO205
BLEU206
BASP207
BLYS284
BVAL326
BTYR353
BGLN372
BASN373
BHOH2566

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A1499
ChainResidue
AHOH2484
AASP215
ALEU216
AALA217
ATRP220
AGLU221
ALEU265

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A1500
ChainResidue
ATRP479
AILE482
ATHR483
AASP489
AHOH2485
BPHE190
BPHE191
BARG194

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A1501
ChainResidue
APRO260
APHE263
ASER264
AARG439
ATYR440
ATHR441
AHOH2307
AHOH2486

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A1502
ChainResidue
AARG244
APHE259
APRO260
ASER261
AHOH2487
BTRP252

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A1503
ChainResidue
AARG162
AALA204
AASP207
ALYS284
AHOH2258
AHOH2488
AHOH2489

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A1504
ChainResidue
APHE190
AGLU221
AHOH2491
AHOH2492
BTRP479
BGLY480
BHOH2558

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B1500
ChainResidue
BARG4
BHIS46
BARG89
BHOH2148
BHOH2151
BHOH2553
BHOH2554

site_idBC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B1501
ChainResidue
BPRO260
BPHE263
BSER264
BARG439
BTYR440
BTHR441
BHOH2555
BHOH2556
BHOH2557

site_idBC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B1502
ChainResidue
APHE190
AARG194
BTRP479
BILE482
BTHR483
BASP489
BHOH2540
BHOH2546
BHOH2558

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B1503
ChainResidue
AGLY480
AHOH2485
BPHE190
BGLU221
BGOL1504
BHOH2559
BHOH2560
BHOH2561

site_idCC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B1504
ChainResidue
BASP215
BLEU216
BALA217
BTRP220
BGLU221
BLEU265
BGOL1503
BHOH2561

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B1505
ChainResidue
ATRP252
BARG244
BPHE259
BPRO260
BSER261

Functional Information from PROSITE/UniProt
site_idPS01095
Number of Residues9
DetailsGH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. FDGVDIDwE
ChainResidueDetails
APHE136-GLU144

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP142
ATYR214
AGLU144

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
BASP142
BTYR214
BGLU144

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP142
AGLU144

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
BASP142
BGLU144

site_idCSA5
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP140
AGLU144

site_idCSA6
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
BASP140
BGLU144

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PDB entries from 2024-09-11

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