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6DWK

SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket

Functional Information from PDB Data
site_idAC1
Number of Residues16
Detailsbinding site for residue HFD A 701
ChainResidue
AGLN149
AARG366
AHIS370
ATYR374
AGLN375
AMG714
AHOH803
AHOH828
ALEU150
AARG164
AARG206
AHIS215
AHIS233
ALYS312
ATYR315
AASP319

site_idAC2
Number of Residues17
Detailsbinding site for residue GTP A 702
ChainResidue
ATYR155
AVAL156
AVAL378
AARG451
ALYS455
AHOH843
AHOH852
CLYS523
CDTP702
DLYS116
DVAL117
DILE118
DASP137
DGLN142
DARG145
DPHE165
DMG701

site_idAC3
Number of Residues16
Detailsbinding site for residue DTP A 703
ChainResidue
AARG333
AARG352
ALYS354
AASN358
ALYS523
AMG704
AHOH833
BVAL117
BASN119
CVAL156
CPHE157
CARG372
CHIS376
CLYS377
CGTP705
CHOH816

site_idAC4
Number of Residues3
Detailsbinding site for residue MG A 704
ChainResidue
ADTP703
CGTP705
CHOH816

site_idAC5
Number of Residues3
Detailsbinding site for residue MG A 705
ChainResidue
AGTP706
AHOH823
BDTP703

site_idAC6
Number of Residues17
Detailsbinding site for residue GTP A 706
ChainResidue
ALYS116
AVAL117
AILE118
AASP137
AGLN142
AARG145
APHE165
AMG705
AHOH823
AHOH834
BLYS523
BDTP703
DTYR155
DVAL156
DVAL378
DARG451
DLYS455

site_idAC7
Number of Residues6
Detailsbinding site for residue NA A 707
ChainResidue
APRO158
AGLY159
ASER161
DHIS162
DGLU166
DHOH828

site_idAC8
Number of Residues5
Detailsbinding site for residue NA A 708
ChainResidue
AILE448
AARG451
AHOH820
DGLN142
DHOH837

site_idAC9
Number of Residues5
Detailsbinding site for residue NA A 709
ChainResidue
AGLN271
ATYR298
AVAL301
ASER302
AHOH805

site_idAD1
Number of Residues2
Detailsbinding site for residue NA A 710
ChainResidue
AHIS123
ATYR331

site_idAD2
Number of Residues2
Detailsbinding site for residue NA A 711
ChainResidue
AGLN447
AHOH854

site_idAD3
Number of Residues6
Detailsbinding site for residue NA A 712
ChainResidue
ALYS148
ASER161
AASN163
DLYS148
DSER161
DASN163

site_idAD4
Number of Residues3
Detailsbinding site for residue NA A 713
ChainResidue
AALA525
AARG528
ACYS522

site_idAD5
Number of Residues3
Detailsbinding site for residue MG A 714
ChainResidue
AASP309
ALYS312
AHFD701

site_idAD6
Number of Residues4
Detailsbinding site for residue GLY A 715
ChainResidue
AARG366
AHIS370
AASN504
AASP506

site_idAD7
Number of Residues19
Detailsbinding site for residue HFD B 701
ChainResidue
BGLN149
BLEU150
BARG164
BARG206
BHIS210
BHIS215
BHIS233
BASP311
BLYS312
BTYR315
BASP319
BARG366
BTYR374
BGLN375
BMG710
BHOH801
BHOH844
BHOH857
BHOH866

site_idAD8
Number of Residues17
Detailsbinding site for residue GTP B 702
ChainResidue
BTYR155
BVAL156
BVAL378
BARG451
BLYS455
BHOH859
CLYS116
CVAL117
CILE118
CASP137
CGLN142
CARG145
CPHE165
CMG703
DLYS523
DDTP702
DHOH844

site_idAD9
Number of Residues19
Detailsbinding site for residue DTP B 703
ChainResidue
AVAL117
AASN119
AMG705
AGTP706
AHOH823
BARG333
BARG352
BLYS354
BASN358
BLYS523
BHOH804
BHOH806
BHOH849
BHOH876
DVAL156
DPHE157
DARG372
DHIS376
DLYS377

site_idAE1
Number of Residues6
Detailsbinding site for residue NA B 704
ChainResidue
BSER168
BGLY203
BLEU204
BARG206
BASN207
BNA705

site_idAE2
Number of Residues7
Detailsbinding site for residue NA B 705
ChainResidue
BLEU144
BSER168
BLEU204
BCYS205
BASN207
BLEU208
BNA704

site_idAE3
Number of Residues7
Detailsbinding site for residue NA B 706
ChainResidue
BPRO158
BGLY159
BSER161
CHIS162
CGLU166
CHIS322
CHOH825

site_idAE4
Number of Residues5
Detailsbinding site for residue NA B 707
ChainResidue
BILE448
BARG451
BHOH826
CGLN142
CHOH810

site_idAE5
Number of Residues3
Detailsbinding site for residue NA B 708
ChainResidue
BGLU342
BASN527
BALA529

site_idAE6
Number of Residues4
Detailsbinding site for residue NA B 709
ChainResidue
BGLN539
BLEU541
BGLU543
DGLU543

site_idAE7
Number of Residues3
Detailsbinding site for residue MG B 710
ChainResidue
BARG206
BASP311
BHFD701

site_idAE8
Number of Residues5
Detailsbinding site for residue GLY B 711
ChainResidue
BSER192
BARG194
BASP195
BARG290
BLYS294

site_idAE9
Number of Residues3
Detailsbinding site for residue GLY B 712
ChainResidue
BARG348
BHIS517
BARG531

site_idAF1
Number of Residues4
Detailsbinding site for residue TRS B 713
ChainResidue
BLYS439
BARG442
BGLU443
BLYS446

site_idAF2
Number of Residues5
Detailsbinding site for residue TRS B 714
ChainResidue
BLEU488
BASP490
BARG559
BLYS560
BTYR563

site_idAF3
Number of Residues3
Detailsbinding site for residue NA C 701
ChainResidue
BGLU449
CTYR146
CHOH810

site_idAF4
Number of Residues16
Detailsbinding site for residue DTP C 702
ChainResidue
AVAL156
APHE157
AILE325
AARG372
AHIS376
ALYS377
AGTP702
AHOH852
CARG333
CARG352
CLYS354
CASN358
CLYS523
DVAL117
DASN119
DMG701

site_idAF5
Number of Residues3
Detailsbinding site for residue MG C 703
ChainResidue
BGTP702
DDTP702
DHOH844

site_idAF6
Number of Residues16
Detailsbinding site for residue HFD C 704
ChainResidue
CGLN149
CLEU150
CARG164
CARG206
CHIS215
CHIS233
CGLU234
CASP311
CLYS312
CTYR315
CASP319
CTYR374
CGLN375
CMG709
CHOH804
CHOH837

site_idAF7
Number of Residues18
Detailsbinding site for residue GTP C 705
ChainResidue
ALYS523
ADTP703
AMG704
AHOH833
BLYS116
BVAL117
BILE118
BASP137
BGLN142
BARG145
BPHE165
BHOH870
CTYR155
CVAL156
CVAL378
CARG451
CLYS455
CHOH816

site_idAF8
Number of Residues4
Detailsbinding site for residue NA C 706
ChainResidue
BHOH815
BHOH821
CILE448
CARG451

site_idAF9
Number of Residues3
Detailsbinding site for residue NA C 707
ChainResidue
CHIS364
CASN367
CTYR507

site_idAG1
Number of Residues4
Detailsbinding site for residue NA C 708
ChainResidue
CARG352
CASP353
CCYS522
CLYS523

site_idAG2
Number of Residues4
Detailsbinding site for residue MG C 709
ChainResidue
CLYS312
CTYR315
CARG366
CHFD704

site_idAG3
Number of Residues1
Detailsbinding site for residue GLY C 710
ChainResidue
CGLY711

site_idAG4
Number of Residues3
Detailsbinding site for residue GLY C 711
ChainResidue
CARG559
CTYR563
CGLY710

site_idAG5
Number of Residues2
Detailsbinding site for residue GLY C 712
ChainResidue
CTYR450
CASN452

site_idAG6
Number of Residues4
Detailsbinding site for residue GLY C 713
ChainResidue
CARG366
CASN504
CMET505
CASP506

site_idAG7
Number of Residues4
Detailsbinding site for residue GLY C 714
ChainResidue
CSER192
CASP195
CARG290
CLYS294

site_idAG8
Number of Residues3
Detailsbinding site for residue MG D 701
ChainResidue
AGTP702
AHOH852
CDTP702

site_idAG9
Number of Residues16
Detailsbinding site for residue DTP D 702
ChainResidue
BVAL156
BPHE157
BARG372
BHIS376
BLYS377
BGTP702
CVAL117
CASN119
CMG703
DARG333
DARG352
DLYS354
DASN358
DLYS523
DHOH832
DHOH844

site_idAH1
Number of Residues20
Detailsbinding site for residue HFD D 703
ChainResidue
DGLN149
DLEU150
DARG164
DARG206
DHIS215
DLYS312
DTYR315
DASP319
DARG366
DHIS370
DTYR374
DGLN375
DNA707
DMG710
DMG711
DHOH808
DHOH819
DHOH864
DHOH869
DHOH880

site_idAH2
Number of Residues4
Detailsbinding site for residue NA D 704
ChainResidue
DGLN271
DTYR298
DSER302
DHOH825

site_idAH3
Number of Residues4
Detailsbinding site for residue NA D 705
ChainResidue
AHOH840
DILE448
DARG451
DHOH827

site_idAH4
Number of Residues6
Detailsbinding site for residue NA D 706
ChainResidue
BARG372
DPHE329
DASN358
DASP361
DHOH835
DHOH877

site_idAH5
Number of Residues5
Detailsbinding site for residue NA D 707
ChainResidue
DTYR374
DGLY379
DASN380
DASP383
DHFD703

site_idAH6
Number of Residues2
Detailsbinding site for residue NA D 708
ChainResidue
DVAL238
DLYS269

site_idAH7
Number of Residues4
Detailsbinding site for residue NA D 709
ChainResidue
DARG366
DASN367
DASP506
DGLY712

site_idAH8
Number of Residues1
Detailsbinding site for residue MG D 710
ChainResidue
DHFD703

site_idAH9
Number of Residues6
Detailsbinding site for residue MG D 711
ChainResidue
DARG164
DHIS210
DHIS215
DHFD703
DHOH819
DHOH865

site_idAI1
Number of Residues5
Detailsbinding site for residue GLY D 712
ChainResidue
DARG366
DGLN375
DASN504
DASP506
DNA709

site_idAI2
Number of Residues3
Detailsbinding site for residue GLY D 713
ChainResidue
DGLY324
DGLN326
DHOH842

site_idAI3
Number of Residues4
Detailsbinding site for residue GLY D 715
ChainResidue
DVAL487
DLEU488
DTYR563
DLEU590

site_idAI4
Number of Residues3
Detailsbinding site for residue PO4 D 716
ChainResidue
DARG305
DHIS517
DARG531

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

222624

PDB entries from 2024-07-17

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