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6G22

Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU

Functional Information from GO Data
ChainGOidnamespacecontents
A0008253molecular_function5'-nucleotidase activity
A0009264biological_processdeoxyribonucleotide catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue MG A 301
ChainResidue
AASP41
AASP43
AASP176
A2O2305
AHOH437
AHOH444

site_idAC2
Number of Residues2
Detailsbinding site for residue BME A 302
ChainResidue
ACYS197
AGLN200

site_idAC3
Number of Residues6
Detailsbinding site for residue GOL A 303
ChainResidue
AARG177
APRO178
AASP179
AHOH462
AHOH609
ATRP76

site_idAC4
Number of Residues8
Detailsbinding site for residue GOL A 304
ChainResidue
AALA119
ASER120
ALEU121
AASN123
ATHR124
AHOH438
AHOH478
AHOH523

site_idAC5
Number of Residues23
Detailsbinding site for residue 2O2 A 305
ChainResidue
AASP41
AASP43
APHE49
APHE75
ATRP76
AVAL77
ATRP96
ASER131
AILE133
ALYS134
AARG163
AMG301
AHOH402
AHOH413
AHOH420
AHOH422
AHOH429
AHOH437
AHOH441
AHOH444
AHOH500
AHOH506
AHOH534

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile
ChainResidueDetails
AASP41

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000305
ChainResidueDetails
AASP43

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:12352955
ChainResidueDetails
AASP41
AASP176

site_idSWS_FT_FI4
Number of Residues8
DetailsBINDING:
ChainResidueDetails
AASP43
APHE49
APHE75
ATRP76
AVAL77
ATRP96
ATHR130
ALYS165

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 812
ChainResidueDetails
AASP41covalently attached, metal ligand, nucleofuge, nucleophile
AASP43metal ligand
AASP176metal ligand

223532

PDB entries from 2024-08-07

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