Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

6DW5

SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket

Functional Information from PDB Data
site_idAC1
Number of Residues25
Detailsbinding site for residue GTF A 701
ChainResidue
AGLN149
ALYS312
ATYR315
AASP319
AARG366
ATYR374
AGLN375
AMG707
AMG708
AHOH805
AHOH807
ALEU150
AHOH814
AHOH831
AHOH836
AHOH837
AHOH847
AHOH915
AARG164
AARG206
AASN207
AHIS210
AHIS215
AHIS233
AASP311

site_idAC2
Number of Residues20
Detailsbinding site for residue GTP A 702
ChainResidue
ATYR155
AVAL156
AVAL378
AARG451
AHOH824
AHOH830
AHOH841
AHOH869
AHOH921
CLYS523
CDTP702
CMG703
DLYS116
DVAL117
DILE118
DASP137
DGLN142
DARG145
DPHE165
DHOH911

site_idAC3
Number of Residues21
Detailsbinding site for residue DTP A 703
ChainResidue
AARG333
APHE337
AARG352
ALYS354
AASN358
ALYS523
AMG704
AHOH849
AHOH866
AHOH883
AHOH907
BVAL117
BASN119
BGTP703
BHOH860
CVAL156
CPHE157
CARG372
CHIS376
CLYS377
CHOH808

site_idAC4
Number of Residues3
Detailsbinding site for residue MG A 704
ChainResidue
ADTP703
BGTP703
BHOH860

site_idAC5
Number of Residues3
Detailsbinding site for residue MG A 705
ChainResidue
BDTP704
DGTP703
DHOH863

site_idAC6
Number of Residues4
Detailsbinding site for residue NA A 706
ChainResidue
ATYR298
ASER302
AHOH858
AHOH914

site_idAC7
Number of Residues4
Detailsbinding site for residue MG A 707
ChainResidue
ATYR315
AARG366
AHIS370
AGTF701

site_idAC8
Number of Residues4
Detailsbinding site for residue MG A 708
ChainResidue
AASP311
ATYR315
AGTF701
AHOH847

site_idAC9
Number of Residues21
Detailsbinding site for residue GTF B 701
ChainResidue
BMG706
BHOH806
BHOH835
BHOH859
BHOH879
BHOH880
BGLN149
BLEU150
BARG164
BARG206
BASN207
BHIS210
BHIS215
BHIS233
BASP311
BLYS312
BTYR315
BASP319
BARG366
BTYR374
BGLN375

site_idAD1
Number of Residues18
Detailsbinding site for residue GTP B 702
ChainResidue
BTYR155
BVAL156
BARG451
BLYS455
BHOH815
BHOH852
BHOH910
BHOH921
CLYS116
CVAL117
CILE118
CASP137
CGLN142
CARG145
CPHE165
CMG704
DLYS523
DDTP701

site_idAD2
Number of Residues20
Detailsbinding site for residue GTP B 703
ChainResidue
ALYS523
ADTP703
AMG704
BLYS116
BVAL117
BILE118
BASP137
BGLN142
BARG145
BPHE165
BHOH832
BHOH844
BHOH860
BHOH882
BHOH885
BHOH920
CTYR155
CVAL156
CARG451
CLYS455

site_idAD3
Number of Residues23
Detailsbinding site for residue DTP B 704
ChainResidue
AVAL117
AASN119
AMG705
BARG333
BPHE337
BARG352
BLYS354
BASN358
BLYS523
BHOH816
BHOH828
BHOH830
BHOH851
BHOH854
BHOH900
DVAL156
DPHE157
DARG372
DHIS376
DLYS377
DVAL378
DGTP703
DHOH863

site_idAD4
Number of Residues5
Detailsbinding site for residue NA B 705
ChainResidue
BTYR298
BSER302
BHOH834
BHOH865
BHOH913

site_idAD5
Number of Residues2
Detailsbinding site for residue MG B 706
ChainResidue
BGLU234
BGTF701

site_idAD6
Number of Residues4
Detailsbinding site for residue NI C 701
ChainResidue
BHIS321
BHIS322
CHIS321
CHIS322

site_idAD7
Number of Residues21
Detailsbinding site for residue DTP C 702
ChainResidue
AVAL156
APHE157
AARG372
AHIS376
AGTP702
AHOH830
AHOH921
CARG333
CARG352
CLYS354
CASN358
CLYS523
CMG703
CHOH851
CHOH859
CHOH882
CHOH888
CHOH893
CHOH904
DVAL117
DASN119

site_idAD8
Number of Residues3
Detailsbinding site for residue MG C 703
ChainResidue
AGTP702
AHOH921
CDTP702

site_idAD9
Number of Residues3
Detailsbinding site for residue MG C 704
ChainResidue
BGTP702
BHOH852
DDTP701

site_idAE1
Number of Residues24
Detailsbinding site for residue GTF C 705
ChainResidue
CGLN149
CLEU150
CARG164
CHIS167
CARG206
CASN207
CHIS210
CHIS215
CHIS233
CASP311
CLYS312
CTYR315
CASP319
CARG366
CHIS370
CTYR374
CGLN375
CNA706
CHOH810
CHOH812
CHOH838
CHOH843
CHOH870
CHOH891

site_idAE2
Number of Residues6
Detailsbinding site for residue NA C 706
ChainResidue
CTYR374
CASN380
CASP383
CGTF705
CHOH804
CHOH866

site_idAE3
Number of Residues5
Detailsbinding site for residue NA C 707
ChainResidue
CTYR298
CSER302
CHOH841
CHOH844
CHOH898

site_idAE4
Number of Residues18
Detailsbinding site for residue DTP D 701
ChainResidue
BVAL156
BPHE157
BARG372
BHIS376
BLYS377
BGTP702
BHOH852
CVAL117
CASN119
CMG704
DARG333
DPHE337
DARG352
DLYS354
DASN358
DLYS523
DHOH825
DHOH845

site_idAE5
Number of Residues22
Detailsbinding site for residue GTF D 702
ChainResidue
DGLN149
DLEU150
DARG164
DARG206
DHIS210
DHIS215
DHIS233
DLYS312
DTYR315
DASP319
DARG366
DHIS370
DTYR374
DGLN375
DMG704
DMG705
DMG706
DHOH804
DHOH805
DHOH836
DHOH875
DHOH882

site_idAE6
Number of Residues20
Detailsbinding site for residue GTP D 703
ChainResidue
ALYS116
AVAL117
AILE118
AASP137
AGLN142
AARG145
APHE165
AMG705
BLYS523
BDTP704
DTYR155
DVAL156
DVAL378
DARG451
DLYS455
DHOH857
DHOH863
DHOH912
DHOH918
DHOH928

site_idAE7
Number of Residues6
Detailsbinding site for residue MG D 704
ChainResidue
DASP309
DLYS312
DGTF702
DHOH811
DHOH812
DHOH836

site_idAE8
Number of Residues3
Detailsbinding site for residue MG D 705
ChainResidue
DTYR315
DHIS370
DGTF702

site_idAE9
Number of Residues7
Detailsbinding site for residue MG D 706
ChainResidue
DARG164
DARG206
DASN207
DHIS210
DHIS233
DGTF702
DHOH923

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
ALYS116
BARG352
BASN358
BLYS523
CLYS116
CASP137
CARG333
CARG352
CASN358
CLYS523
DLYS116
AASP137
DASP137
DARG333
DARG352
DASN358
DLYS523
AARG333
AARG352
AASN358
ALYS523
BLYS116
BASP137
BARG333

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
AASN119
BLYS455
CASN119
CHIS376
CLYS377
CARG451
CLYS455
DASN119
DHIS376
DLYS377
DARG451
AHIS376
DLYS455
ALYS377
AARG451
ALYS455
BASN119
BHIS376
BLYS377
BARG451

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

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
AHIS167
CARG206
CASN207
CASP311
DHIS167
DARG206
DASN207
DASP311
AARG206
AASN207
AASP311
BHIS167
BARG206
BASN207
BASP311
CHIS167

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
BTHR592
CTHR592
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
ALYS467
BLYS622
CLYS467
CLYS469
CLYS492
CLYS622
DLYS467
DLYS469
DLYS492
DLYS622
ALYS469
ALYS492
ALYS622
BLYS467
BLYS469
BLYS492

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon