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3QXG

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with calcium, a closed cap conformation

Functional Information from GO Data
ChainGOidnamespacecontents
A0005975biological_processcarbohydrate metabolic process
A0016791molecular_functionphosphatase activity
A0046872molecular_functionmetal ion binding
A0050308molecular_functionsugar-phosphatase activity
B0005975biological_processcarbohydrate metabolic process
B0016791molecular_functionphosphatase activity
B0046872molecular_functionmetal ion binding
B0050308molecular_functionsugar-phosphatase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 225
ChainResidue
AASN191
AGLY197
AHOH269
AHOH307
AHOH479
BASP206

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 226
ChainResidue
AHOH387
AHOH388
AHOH414
APRO194
AHOH375
AHOH386

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 227
ChainResidue
AASP11
AASP13
AGLU47
AASN172
APO4228
AHOH239
AHOH372

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PO4 A 228
ChainResidue
AASP11
AMET12
AASP13
AGLU47
ATHR113
ALYS147
ACA227
AHOH239
AHOH285
AHOH371
AHOH372

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE TLA A 229
ChainResidue
AARG49
APRO148
AGLU178
ALYS182
AMG232
AHOH254
AHOH400
AHOH405
BARG49
BPRO148
BGLU178
BLYS182
BCA231
BHOH394
BHOH395

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 230
ChainResidue
AASP11
AGLY48
ATHR113
AGLY114
ALYS147
AHOH372

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 231
ChainResidue
AHIS23
ATRP27
AARG49
ALYS79
AHOH292
AHOH293

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 232
ChainResidue
AGLU178
ATLA229
AHOH250
AHOH254
AHOH405
BCA231
BHOH394

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 225
ChainResidue
BASP11
BGLY48
BTHR113
BGLY114
BLYS147
BHOH247
BHOH333

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 226
ChainResidue
AHOH297
AHOH307
AHOH376
AHOH398
AHOH437
BHOH312
BHOH463

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 227
ChainResidue
AHOH324
AHOH423
BHOH252
BHOH309
BHOH319
BHOH418

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 228
ChainResidue
AASP206
BASN191
BGLY197
BHOH308
BHOH309
BHOH497

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 229
ChainResidue
BPRO194
BHOH261
BHOH274
BHOH287
BHOH288
BHOH460

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 230
ChainResidue
BASN172
BHOH246
BHOH247
BASP11
BASP13
BGLU47

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 231
ChainResidue
ATLA229
AMG232
AHOH405
BGLU178
BHOH394
BHOH395
BHOH396

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PDB entries from 2025-06-18

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