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2OCI

Crystal structure of valacyclovir hydrolase complexed with a product analogue

Functional Information from GO Data
ChainGOidnamespacecontents
A0005739cellular_componentmitochondrion
A0005741cellular_componentmitochondrial outer membrane
A0006520biological_processamino acid metabolic process
A0006805biological_processxenobiotic metabolic process
A0009636biological_processresponse to toxic substance
A0016787molecular_functionhydrolase activity
A0017171molecular_functionserine hydrolase activity
A0047658molecular_functionalpha-amino-acid esterase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MN A 301
ChainResidue
AHIS35
AGLU57
AASP78
AHIS84
AHOH506

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 302
ChainResidue
AASP204
AHOH552
AHOH621

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE TYC A 401
ChainResidue
AMET52
ASER122
AASP123
AASP155
AILE158
ATYR159
AILE162
ATRP192
AHOH417
AHOH457
AHOH517
AHOH519
AGLY51

Functional Information from PROSITE/UniProt
site_idPS00120
Number of Residues10
DetailsLIPASE_SER Lipases, serine active site. VSLLGWSDGG
ChainResidueDetails
AVAL116-GLY125

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile => ECO:0000269|PubMed:18256025
ChainResidueDetails
ASER122

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10037, ECO:0000269|PubMed:18256025
ChainResidueDetails
AASP227
AHIS255

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Binding of alpha-amino group of substrate
ChainResidueDetails
AASP123

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q8R164
ChainResidueDetails
ALYS69
ALYS102
ALYS200
ALYS226

site_idSWS_FT_FI5
Number of Residues4
DetailsMOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q8R164
ChainResidueDetails
ALYS109
ALYS174
ALYS243
ALYS254

site_idSWS_FT_FI6
Number of Residues1
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8R164
ChainResidueDetails
ALYS167

218853

PDB entries from 2024-04-24

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