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4TO4

Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP-dCTP complex

Functional Information from PDB Data
site_idAC1
Number of Residues23
Detailsbinding site for residue DCP A 701
ChainResidue
AGLN149
ATYR315
AASP319
AARG366
ATYR374
AGLN375
AMG702
AHOH804
AHOH868
AHOH871
AHOH872
ALEU150
AHOH889
AHOH890
AHOH891
AHOH892
AARG164
AARG206
AHIS210
AHIS215
AHIS233
AASP311
ALYS312

site_idAC2
Number of Residues4
Detailsbinding site for residue MG A 702
ChainResidue
ADCP701
AHOH889
AHOH890
AHOH892

site_idAC3
Number of Residues19
Detailsbinding site for residue GTP A 703
ChainResidue
ATYR155
AVAL156
AVAL378
AARG451
ALYS455
AHOH814
AHOH893
CLYS523
CDGT701
CHOH911
DLYS116
DVAL117
DILE118
DASP137
DGLN142
DARG145
DPHE165
DMG701
DHOH853

site_idAC4
Number of Residues20
Detailsbinding site for residue DGT A 704
ChainResidue
AASP330
AARG333
AARG352
ALYS354
AASN358
ALYS523
AHOH822
AHOH873
BVAL117
BASN119
BHIS125
BMG704
BGTP705
CVAL156
CPHE157
CGLY324
CILE325
CARG372
CHIS376
CLYS377

site_idAC5
Number of Residues3
Detailsbinding site for residue MG A 705
ChainResidue
BDGT706
BHOH844
DGTP705

site_idAC6
Number of Residues24
Detailsbinding site for residue DCP B 701
ChainResidue
BGLN149
BLEU150
BARG164
BARG206
BHIS210
BHIS215
BHIS233
BASP311
BLYS312
BTYR315
BASP319
BARG366
BTYR374
BGLN375
BMG702
BHOH810
BHOH818
BHOH861
BHOH862
BHOH863
BHOH864
BHOH876
BHOH878
BHOH880

site_idAC7
Number of Residues4
Detailsbinding site for residue MG B 702
ChainResidue
BARG206
BDCP701
BHOH861
BHOH862

site_idAC8
Number of Residues17
Detailsbinding site for residue GTP B 703
ChainResidue
BVAL378
BARG451
BLYS455
BHOH828
CLYS116
CVAL117
CILE118
CASP137
CGLN142
CARG145
CPHE165
CMG702
CHOH848
DLYS523
DDGT702
BTYR155
BVAL156

site_idAC9
Number of Residues3
Detailsbinding site for residue MG B 704
ChainResidue
ADGT704
AHOH822
BGTP705

site_idAD1
Number of Residues19
Detailsbinding site for residue GTP B 705
ChainResidue
ALYS523
ADGT704
AHOH822
BLYS116
BVAL117
BILE118
BILE136
BASP137
BGLN142
BARG145
BPHE165
BMG704
BHOH814
BHOH884
CTYR155
CVAL156
CVAL378
CARG451
CLYS455

site_idAD2
Number of Residues19
Detailsbinding site for residue DGT B 706
ChainResidue
AVAL117
AASN119
AHIS125
AMG705
BASP330
BARG333
BARG352
BLYS354
BASN358
BLYS523
BHOH844
BHOH885
BHOH886
DVAL156
DPHE157
DARG372
DHIS376
DLYS377
DGTP705

site_idAD3
Number of Residues20
Detailsbinding site for residue DGT C 701
ChainResidue
AVAL156
APHE157
AILE325
AARG372
AHIS376
ALYS377
AGTP703
AHOH814
AHOH893
CASP330
CARG333
CARG352
CLYS354
CASN358
CLYS523
CHOH890
DVAL117
DASN119
DHIS125
DMG701

site_idAD4
Number of Residues4
Detailsbinding site for residue MG C 702
ChainResidue
BGTP703
BHOH828
CLYS116
DDGT702

site_idAD5
Number of Residues28
Detailsbinding site for residue DCP C 703
ChainResidue
CGLN149
CLEU150
CARG164
CARG206
CHIS215
CHIS233
CASP311
CLYS312
CTYR315
CASP319
CARG366
CTYR374
CGLN375
CMG704
CHOH807
CHOH815
CHOH828
CHOH836
CHOH850
CHOH858
CHOH868
CHOH887
CHOH888
CHOH889
CHOH892
CHOH913
CHOH914
CHOH916

site_idAD6
Number of Residues5
Detailsbinding site for residue MG C 704
ChainResidue
CDCP703
CHOH815
CHOH891
CHOH892
CHOH913

site_idAD7
Number of Residues4
Detailsbinding site for residue MG D 701
ChainResidue
AGTP703
AHOH814
CDGT701
DLYS116

site_idAD8
Number of Residues19
Detailsbinding site for residue DGT D 702
ChainResidue
BVAL156
BPHE157
BARG372
BHIS376
BLYS377
BGTP703
BHOH828
CVAL117
CASN119
CHIS125
CMG702
DASP330
DARG333
DARG352
DLYS354
DASN358
DLYS523
DHOH849
DHOH867

site_idAD9
Number of Residues23
Detailsbinding site for residue DCP D 703
ChainResidue
DGLN149
DLEU150
DARG164
DARG206
DHIS210
DHIS215
DHIS233
DASP311
DLYS312
DTYR315
DASP319
DARG366
DHIS370
DTYR374
DGLN375
DMG704
DHOH809
DHOH829
DHOH830
DHOH833
DHOH854
DHOH855
DHOH869

site_idAE1
Number of Residues3
Detailsbinding site for residue MG D 704
ChainResidue
DDCP703
DHOH833
DHOH855

site_idAE2
Number of Residues18
Detailsbinding site for residue GTP D 705
ChainResidue
ALYS116
AVAL117
AILE118
AASP137
AGLN142
AARG145
APHE165
AMG705
BLYS523
BDGT706
BHOH844
DTYR155
DVAL156
DVAL378
DARG451
DLYS455
DHOH825
DHOH871

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
AHIS376
AASN119
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
ATHR592
CTHR592
DTHR592
BTHR592

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

219140

PDB entries from 2024-05-01

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