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1Q91

Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor DPB-T

Functional Information from GO Data
ChainGOidnamespacecontents
A0008253molecular_function5'-nucleotidase activity
A0009264biological_processdeoxyribonucleotide catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PO4 A 1228
ChainResidue
ADPB1
AHOH459
AMG1003
AHOH8
AASP41
AMET42
AASP43
ATHR130
ASER131
ALYS165
AHOH409

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1003
ChainResidue
AASP41
AASP43
AASP176
AHOH409
AHOH512
APO41228

site_idAC3
Number of Residues19
DetailsBINDING SITE FOR RESIDUE DPB A 1
ChainResidue
APHE49
APHE75
ATRP76
AVAL77
ATRP96
ASER131
APRO132
AILE133
ALYS134
AARG163
AHOH324
AHOH342
AHOH459
AHOH511
AHOH512
AHOH516
AHOH534
AHOH579
APO41228

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_idCSA1
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 12352955
ChainResidueDetails
AASP43

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

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PDB entries from 2024-07-24

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