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4QG2

Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (RN206) mutant catalytic core

Functional Information from PDB Data
site_idAC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE GTP A 701
ChainResidue
ATYR155
DILE118
DASP137
DGLN142
DARG145
DPHE165
DMG703
AVAL156
AVAL378
AARG451
ALYS455
CLYS523
CDTP701
DLYS116
DVAL117

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE DTP A 702
ChainResidue
AARG333
APHE337
AARG352
ALYS354
AASN358
ALYS523
AMG704
AHOH813
BVAL117
BASN119
BGTP702
CVAL156
CPHE157
CARG372
CHIS376
CLYS377

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MG A 703
ChainResidue
BDTP703
DGTP702

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 704
ChainResidue
ADTP702
AHOH813
BGTP702

site_idAC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE GTP B 701
ChainResidue
BTYR155
BVAL156
BVAL378
BARG451
BLYS455
CLYS116
CVAL117
CILE118
CILE136
CASP137
CGLN142
CARG145
CPHE165
CMG702
DLYS523
DDTP701

site_idAC6
Number of Residues17
DetailsBINDING SITE FOR RESIDUE GTP B 702
ChainResidue
ALYS523
ADTP702
AMG704
AHOH813
BLYS116
BVAL117
BILE118
BILE136
BASP137
BGLN142
BARG145
BPHE165
CTYR155
CVAL156
CVAL378
CARG451
CLYS455

site_idAC7
Number of Residues17
DetailsBINDING SITE FOR RESIDUE DTP B 703
ChainResidue
AVAL117
AASN119
AMG703
BARG333
BPHE337
BARG352
BLYS354
BASN358
BLYS523
BHOH808
DVAL156
DPHE157
DARG372
DHIS376
DLYS377
DVAL378
DGTP702

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE DTP C 701
ChainResidue
DVAL117
DASN119
DMG703
AVAL156
APHE157
AARG372
AHIS376
ALYS377
AVAL378
AGTP701
CARG333
CPHE337
CARG352
CLYS354
CASN358
CLYS523

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG C 702
ChainResidue
BGTP701
CLYS116
DDTP701

site_idBC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE DTP D 701
ChainResidue
BVAL156
BPHE157
BARG372
BHIS376
BLYS377
BGTP701
CVAL117
CILE118
CASN119
CMG702
DARG333
DPHE337
DARG352
DLYS354
DASN358
DLYS523

site_idBC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE GTP D 702
ChainResidue
ALYS116
AVAL117
AILE118
AILE136
AASP137
AGLN142
AARG145
APHE165
AMG703
BLYS523
BDTP703
DTYR155
DVAL156
DVAL378
DARG451
DLYS455

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG D 703
ChainResidue
AGTP701
CDTP701
DLYS116

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsActive site: {"evidences":[{"source":"PubMed","id":"22056990","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsBinding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues4
DetailsBinding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues32
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues28
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues16
DetailsBinding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues12
DetailsBinding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues4
DetailsBinding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI9
Number of Residues8
DetailsBinding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI10
Number of Residues4
DetailsBinding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI11
Number of Residues4
DetailsModified residue: {"description":"Phosphothreonine; by CDK1","evidences":[{"source":"PubMed","id":"23601106","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23602554","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26294762","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26431200","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29610582","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29670289","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17081983","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI12
Number of Residues16
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

248636

PDB entries from 2026-02-04

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