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1W1T

Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(His-L-Pro) at 1.9 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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1511
ChainResidue
AARG420
AHOH2299
AHOH2351
AHOH2352
BLYS386
BHOH2347

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1512
ChainResidue
AHOH2353
APRO281
ASER282
AHOH2202

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1508
ChainResidue
ALYS386
BARG420
BHOH2354
BHOH2414
BHOH2415

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1509
ChainResidue
BPRO281
BSER282
BHOH2416
BHOH2417
BHOH2418

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1510
ChainResidue
AASN352
BPRO454
BALA455
BHOH2033

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1511
ChainResidue
BTHR26
BARG343
BARG410
BHOH2419
BHOH2420
BHOH2421
BHOH2422

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CHQ A 1513
ChainResidue
ATYR10
APHE51
AGLY96
ATRP97
AASP142
AGLU144
AMET212
ATYR214
AASP215
ATRP403
AGOL1508
ACHQ1514
AHOH2354
AHOH2355

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CHQ A 1514
ChainResidue
ATRP97
AASP215
ATRP220
AGOL1508
AGOL1509
ACHQ1513
AHOH2355
AHOH2356

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CHQ B 1512
ChainResidue
BTYR10
BPHE51
BGLY96
BTRP97
BASP142
BGLU144
BMET212
BTYR214
BASP215
BTRP403
BGOL1507
BCHQ1513
BHOH2423
BHOH2424

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CHQ B 1513
ChainResidue
BPHE191
BGOL1507
BCHQ1512
BHOH2424

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1500
ChainResidue
APHE190
AGLU221
APHE239
AGOL1509
BGLY480

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1501
ChainResidue
APRO260
APHE263
ASER264
AARG439
ATYR440
ATHR441
AHOH2191
AHOH2341

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1502
ChainResidue
ATHR3
AARG4
ATHR45
AHIS46
AARG89
ATYR208
AHOH2157
AHOH2343

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1503
ChainResidue
AARG244
APHE259
APRO260
ASER261
AHOH2174
BTRP252

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1504
ChainResidue
AALA204
ALEU206
AASP207
ALYS284
AHOH2344
AHOH2345
AARG162

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1505
ChainResidue
APHE190
APHE191
AARG194
AHOH2346
BTRP479
BSER484
BASP489
BHOH2400

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1506
ChainResidue
AARG72
AASN76
AGLN431
AHOH2347

site_idBC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1507
ChainResidue
APHE12
AILE13
APRO14
ATHR15
ASER50
APHE51
AASP63
ATYR99
AHOH2042

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1508
ChainResidue
AASP215
AARG294
ATRP403
AGLN407
ACHQ1513
ACHQ1514
AHOH2348
AHOH2355

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1509
ChainResidue
AASP215
ALEU216
ATRP220
AGLU221
AGOL1500
ACHQ1514
AHOH2349

site_idCC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1510
ChainResidue
ATYR323
AVAL326
AGLY327
ACYS328
AGLU329
AVAL332
AHOH2350

site_idCC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1500
ChainResidue
ATRP479
AGLY480
ATYR481
AASP489
BPHE190
BPHE191
BARG194
BGOL1506
BHOH2408

site_idCC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1501
ChainResidue
BTHR3
BARG4
BLYS5
BALA6
BTHR45
BGOL1504
BHOH2409

site_idCC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1502
ChainResidue
BTYR323
BLEU325
BVAL326
BGLY327
BCYS328
BVAL332
BHOH2279
BHOH2282

site_idCC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1503
ChainResidue
BPHE263
BSER264
BARG439
BTYR440
BTHR441
BHOH2246
BHOH2410

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 1504
ChainResidue
BARG89
BPRO178
BGLN180
BGOL1501
BHOH2409
BHOH2411

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 1505
ChainResidue
BARG162
BALA204
BLYS284
BHOH2412
BHOH2413

site_idDC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 1506
ChainResidue
AGLY480
BPHE190
BGLU221
BPHE239
BGOL1500

site_idDC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1507
ChainResidue
BASP215
BTYR292
BARG294
BTRP403
BGLN407
BCHQ1512
BCHQ1513

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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