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4TO3

Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex

Functional Information from PDB Data
site_idAC1
Number of Residues24
Detailsbinding site for residue DCP A 701
ChainResidue
AGLN149
ATYR315
AASP319
AARG366
ATYR374
AGLN375
AMG702
AHOH816
AHOH843
AHOH863
AHOH869
ALEU150
AHOH890
AHOH891
AHOH903
AHOH908
AHOH909
AARG164
AARG206
AHIS210
AHIS215
AHIS233
AASP311
ALYS312

site_idAC2
Number of Residues4
Detailsbinding site for residue MG A 702
ChainResidue
ADCP701
AHOH890
AHOH891
AHOH892

site_idAC3
Number of Residues18
Detailsbinding site for residue DGT A 703
ChainResidue
ATYR155
AVAL156
AVAL378
AARG451
AHOH852
AHOH862
AHOH886
CLYS523
CDGT701
CHOH826
DLYS116
DVAL117
DILE118
DASP137
DGLN142
DARG145
DPHE165
DMG701

site_idAC4
Number of Residues23
Detailsbinding site for residue DGT A 704
ChainResidue
AASP330
AARG333
APHE337
AARG352
ALYS354
AASN358
ALYS523
AMG705
AHOH848
AHOH854
AHOH871
AHOH885
AHOH901
BVAL117
BASN119
BHIS125
BDGT704
BHOH911
CVAL156
CPHE157
CARG372
CHIS376
CLYS377

site_idAC5
Number of Residues3
Detailsbinding site for residue MG A 705
ChainResidue
ADGT704
BDGT704
BHOH911

site_idAC6
Number of Residues4
Detailsbinding site for residue MG A 706
ChainResidue
ALYS116
BDGT705
DDGT705
DHOH852

site_idAC7
Number of Residues26
Detailsbinding site for residue DCP B 701
ChainResidue
BHOH909
BHOH929
BHOH930
BGLN149
BLEU150
BARG164
BARG206
BHIS210
BHIS215
BHIS233
BASP311
BLYS312
BTYR315
BASP319
BARG366
BTYR374
BGLN375
BMG702
BHOH829
BHOH839
BHOH847
BHOH869
BHOH876
BHOH886
BHOH887
BHOH908

site_idAC8
Number of Residues5
Detailsbinding site for residue MG B 702
ChainResidue
BDCP701
BHOH907
BHOH908
BHOH909
BHOH910

site_idAC9
Number of Residues17
Detailsbinding site for residue DGT B 703
ChainResidue
BTYR155
BVAL156
BVAL378
BARG451
BHOH827
BHOH833
BHOH920
CLYS116
CVAL117
CILE118
CASP137
CGLN142
CARG145
CPHE165
CMG702
DLYS523
DDGT702

site_idAD1
Number of Residues17
Detailsbinding site for residue DGT B 704
ChainResidue
ALYS523
ADGT704
AMG705
BLYS116
BVAL117
BILE118
BASP137
BGLN142
BARG145
BPHE165
BHOH862
BHOH911
CTYR155
CVAL156
CVAL378
CARG451
CLYS455

site_idAD2
Number of Residues21
Detailsbinding site for residue DGT B 705
ChainResidue
AVAL117
AASN119
AHIS125
AMG706
BASP330
BARG333
BPHE337
BARG352
BLYS354
BASN358
BLYS523
BHOH823
BHOH842
BHOH885
DVAL156
DPHE157
DARG372
DHIS376
DLYS377
DDGT705
DHOH852

site_idAD3
Number of Residues20
Detailsbinding site for residue DGT C 701
ChainResidue
AVAL156
APHE157
AARG372
AHIS376
ALYS377
ADGT703
CASP330
CARG333
CARG352
CLYS354
CASN358
CLYS523
CHOH826
CHOH837
CHOH872
CHOH890
DVAL117
DASN119
DHIS125
DMG701

site_idAD4
Number of Residues4
Detailsbinding site for residue MG C 702
ChainResidue
BDGT703
BHOH833
CLYS116
DDGT702

site_idAD5
Number of Residues24
Detailsbinding site for residue DCP C 703
ChainResidue
CGLN149
CLEU150
CARG164
CARG206
CASN207
CHIS210
CHIS215
CHIS233
CASP311
CLYS312
CTYR315
CASP319
CARG366
CTYR374
CGLN375
CMG704
CHOH828
CHOH854
CHOH871
CHOH873
CHOH879
CHOH885
CHOH886
CHOH889

site_idAD6
Number of Residues3
Detailsbinding site for residue MG C 704
ChainResidue
CDCP703
CHOH870
CHOH871

site_idAD7
Number of Residues3
Detailsbinding site for residue MG D 701
ChainResidue
ADGT703
CDGT701
CHOH826

site_idAD8
Number of Residues22
Detailsbinding site for residue DGT D 702
ChainResidue
BVAL156
BPHE157
BARG372
BHIS376
BLYS377
BDGT703
BHOH833
CVAL117
CASN119
CHIS125
CMG702
DASP330
DARG333
DPHE337
DARG352
DLYS354
DASN358
DLYS523
DHOH849
DHOH883
DHOH931
DHOH957

site_idAD9
Number of Residues26
Detailsbinding site for residue DCP D 703
ChainResidue
DGLN149
DLEU150
DARG164
DARG206
DHIS210
DHIS215
DHIS233
DASP311
DLYS312
DTYR315
DASP319
DARG366
DTYR374
DGLN375
DMG704
DHOH830
DHOH854
DHOH860
DHOH872
DHOH901
DHOH927
DHOH937
DHOH938
DHOH939
DHOH958
DHOH959

site_idAE1
Number of Residues5
Detailsbinding site for residue MG D 704
ChainResidue
DDCP703
DHOH937
DHOH938
DHOH939
DHOH940

site_idAE2
Number of Residues18
Detailsbinding site for residue DGT D 705
ChainResidue
ALYS116
AVAL117
AILE118
AASP137
AGLN142
AARG145
APHE165
AMG706
BLYS523
BDGT705
DTYR155
DVAL156
DVAL378
DARG451
DHOH852
DHOH861
DHOH876
DHOH920

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000305|PubMed:22056990
ChainResidueDetails
AHIS233
BHIS233
CHIS233
DHIS233

site_idSWS_FT_FI2
Number of Residues24
DetailsBINDING: in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
ChainResidueDetails
AASN358
ALYS523
BLYS116
BASP137
BARG333
BARG352
BASN358
BLYS523
CLYS116
CASP137
CARG333
CARG352
CASN358
CLYS523
DLYS116
DASP137
DARG333
DARG352
DASN358
DLYS523
ALYS116
AASP137
AARG333
AARG352

site_idSWS_FT_FI3
Number of Residues20
DetailsBINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200
ChainResidueDetails
ALYS455
BASN119
BHIS376
BLYS377
BARG451
BLYS455
CASN119
CHIS376
CLYS377
CARG451
CLYS455
DASN119
DHIS376
DLYS377
DARG451
DLYS455
AASN119
AHIS376
ALYS377
AARG451

site_idSWS_FT_FI4
Number of Residues32
DetailsBINDING: BINDING => ECO:0000269|PubMed:24141705
ChainResidueDetails
BGLN149
BARG164
BHIS210
BASP309
BTYR315
BASP319
BARG366
BHIS370
CGLN149
CARG164
CHIS210
CASP309
CTYR315
CASP319
CARG366
CHIS370
DGLN149
DARG164
DHIS210
DASP309
DTYR315
DASP319
DARG366
DHIS370
AGLN149
AARG164
AHIS210
AASP309
ATYR315
AASP319
AARG366
AHIS370

site_idSWS_FT_FI5
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200
ChainResidueDetails
CHIS167
CARG206
CASN207
CASP311
DHIS167
DARG206
DASN207
DASP311
AHIS167
AARG206
AASN207
AASP311
BHIS167
BARG206
BASN207
BASP311

site_idSWS_FT_FI6
Number of Residues4
DetailsMOD_RES: Phosphothreonine; by CDK1 => ECO:0000269|PubMed:23601106, ECO:0000269|PubMed:23602554, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200, ECO:0000269|PubMed:29610582, ECO:0000269|PubMed:29670289, ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
ChainResidueDetails
BTHR592
CTHR592
ATHR592
DTHR592

site_idSWS_FT_FI7
Number of Residues20
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS622
BLYS467
BLYS469
BLYS492
BLYS622
CLYS467
CLYS469
CLYS492
CLYS622
DLYS467
DLYS469
DLYS492
DLYS622
ALYS467
ALYS469
ALYS492

219869

PDB entries from 2024-05-15

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