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6XU1

Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg

Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue FE A 701
ChainResidue
AHIS167
AHIS206
AASP207
AASP311
AMG702
ADZ4705
AHOH866

site_idAC2
Number of Residues7
Detailsbinding site for residue MG A 702
ChainResidue
AFE701
ADZ4705
AHOH845
AHOH865
AHOH866
AASP207
AHIS233

site_idAC3
Number of Residues5
Detailsbinding site for residue MG A 703
ChainResidue
ADZ4705
AHOH805
AHOH824
AHOH858
AHOH864

site_idAC4
Number of Residues3
Detailsbinding site for residue MG A 704
ChainResidue
AGTP706
AHOH823
CDZ4701

site_idAC5
Number of Residues29
Detailsbinding site for residue DZ4 A 705
ChainResidue
AGLN149
ALEU150
AARG164
AHIS167
AASP207
AHIS210
AALA215
AHIS233
AASP311
ALYS312
ATYR315
AASP319
AARG366
ATYR374
AGLN375
AFE701
AMG702
AMG703
AHOH805
AHOH824
AHOH828
AHOH838
AHOH839
AHOH855
AHOH857
AHOH858
AHOH864
AHOH865
AHOH866

site_idAC6
Number of Residues18
Detailsbinding site for residue GTP A 706
ChainResidue
ALYS116
AVAL117
AILE118
AASP137
AGLN142
AARG145
APHE165
AMG704
AHOH819
AHOH823
AHOH867
BTYR155
BVAL156
BVAL378
BARG451
BLYS455
CLYS523
CDZ4701

site_idAC7
Number of Residues17
Detailsbinding site for residue DZ4 A 707
ChainResidue
AARG333
AARG352
ALYS354
AASN358
ALYS523
AHOH811
AHOH833
AHOH869
CVAL117
CASN119
CMG705
CGTP707
DVAL156
DPHE157
DARG372
DHIS376
DLYS377

site_idAC8
Number of Residues7
Detailsbinding site for residue FE B 701
ChainResidue
BHIS167
BHIS206
BASP207
BASP311
BMG702
BDZ4705
BHOH822

site_idAC9
Number of Residues7
Detailsbinding site for residue MG B 702
ChainResidue
BHOH850
BASP207
BHIS233
BFE701
BDZ4705
BHOH822
BHOH849

site_idAD1
Number of Residues5
Detailsbinding site for residue MG B 703
ChainResidue
BDZ4705
BHOH829
BHOH842
BHOH848
BHOH877

site_idAD2
Number of Residues3
Detailsbinding site for residue MG B 704
ChainResidue
BGTP706
BHOH818
DDZ4701

site_idAD3
Number of Residues28
Detailsbinding site for residue DZ4 B 705
ChainResidue
BGLN149
BLEU150
BARG164
BHIS167
BASP207
BHIS210
BALA215
BHIS233
BASP311
BLYS312
BTYR315
BASP319
BARG366
BTYR374
BGLN375
BFE701
BMG702
BMG703
BHOH816
BHOH822
BHOH829
BHOH837
BHOH840
BHOH842
BHOH848
BHOH849
BHOH877
BHOH894

site_idAD4
Number of Residues15
Detailsbinding site for residue GTP B 706
ChainResidue
ATYR155
AVAL156
AARG451
ALYS455
BLYS116
BVAL117
BILE118
BASP137
BGLN142
BARG145
BPHE165
BMG704
BHOH818
DLYS523
DDZ4701

site_idAD5
Number of Residues18
Detailsbinding site for residue DZ4 C 701
ChainResidue
AVAL117
AASN119
AMG704
AGTP706
AHOH823
BVAL156
BPHE157
BARG372
BHIS376
BLYS377
CARG333
CARG352
CLYS354
CASN358
CLYS523
CHOH807
CHOH856
CHOH872

site_idAD6
Number of Residues7
Detailsbinding site for residue FE C 702
ChainResidue
CHIS167
CHIS206
CASP207
CASP311
CMG703
CDZ4706
CHOH825

site_idAD7
Number of Residues7
Detailsbinding site for residue MG C 703
ChainResidue
CASP207
CHIS233
CFE702
CDZ4706
CHOH825
CHOH832
CHOH841

site_idAD8
Number of Residues5
Detailsbinding site for residue MG C 704
ChainResidue
CDZ4706
CHOH808
CHOH826
CHOH860
CHOH878

site_idAD9
Number of Residues3
Detailsbinding site for residue MG C 705
ChainResidue
ADZ4707
AHOH811
CGTP707

site_idAE1
Number of Residues29
Detailsbinding site for residue DZ4 C 706
ChainResidue
CGLN149
CLEU150
CARG164
CHIS167
CASP207
CHIS210
CALA215
CHIS233
CASP311
CLYS312
CTYR315
CASP319
CARG366
CTYR374
CFE702
CMG703
CMG704
CHOH808
CHOH809
CHOH813
CHOH819
CHOH825
CHOH826
CHOH832
CHOH851
CHOH860
CHOH878
CHOH885
CHOH904

site_idAE2
Number of Residues16
Detailsbinding site for residue GTP C 707
ChainResidue
ALYS523
ADZ4707
AHOH811
CLYS116
CVAL117
CILE118
CASP137
CGLN142
CARG145
CPHE165
CMG705
DTYR155
DVAL156
DVAL378
DARG451
DLYS455

site_idAE3
Number of Residues17
Detailsbinding site for residue DZ4 C 708
ChainResidue
BARG333
BARG352
BLYS354
BASN358
BLYS523
CVAL156
CPHE157
CARG372
CHIS376
CLYS377
CHOH835
CHOH893
DVAL117
DASN119
DMG705
DGTP707
DHOH812

site_idAE4
Number of Residues17
Detailsbinding site for residue DZ4 D 701
ChainResidue
AVAL156
APHE157
AARG372
AHIS376
ALYS377
BVAL117
BASN119
BMG704
BGTP706
BHOH818
DARG333
DARG352
DLYS354
DASN358
DLYS523
DHOH842
DHOH855

site_idAE5
Number of Residues6
Detailsbinding site for residue FE D 702
ChainResidue
DHIS167
DHIS206
DASP207
DASP311
DDZ4706
DHOH847

site_idAE6
Number of Residues6
Detailsbinding site for residue MG D 703
ChainResidue
DASP207
DHIS233
DDZ4706
DHOH822
DHOH840
DHOH847

site_idAE7
Number of Residues5
Detailsbinding site for residue MG D 704
ChainResidue
DDZ4706
DHOH809
DHOH830
DHOH841
DHOH872

site_idAE8
Number of Residues4
Detailsbinding site for residue MG D 705
ChainResidue
CDZ4708
DLYS116
DGTP707
DHOH812

site_idAE9
Number of Residues28
Detailsbinding site for residue DZ4 D 706
ChainResidue
DGLN149
DLEU150
DARG164
DHIS167
DASP207
DHIS210
DALA215
DHIS233
DASP311
DLYS312
DTYR315
DASP319
DARG366
DTYR374
DGLN375
DFE702
DMG703
DMG704
DHOH809
DHOH822
DHOH824
DHOH829
DHOH830
DHOH833
DHOH841
DHOH847
DHOH870
DHOH872

site_idAF1
Number of Residues16
Detailsbinding site for residue GTP D 707
ChainResidue
BLYS523
CTYR155
CVAL156
CVAL378
CARG451
CLYS455
CDZ4708
DLYS116
DVAL117
DILE118
DASP137
DGLN142
DARG145
DPHE165
DMG705
DHOH812

site_idAF2
Number of Residues4
Detailsbinding site for residue MG D 708
ChainResidue
DASN504
DHOH802
DHOH894
DHOH897

site_idAF3
Number of Residues7
Detailsbinding site for residue FE E 701
ChainResidue
EHIS167
EHIS206
EASP207
EASP311
EMG702
EDZ4705
EHOH837

site_idAF4
Number of Residues7
Detailsbinding site for residue MG E 702
ChainResidue
EASP207
EHIS233
EFE701
EDZ4705
EHOH826
EHOH827
EHOH837

site_idAF5
Number of Residues5
Detailsbinding site for residue MG E 703
ChainResidue
EDZ4705
EHOH809
EHOH822
EHOH847
EHOH852

site_idAF6
Number of Residues3
Detailsbinding site for residue MG E 704
ChainResidue
EGTP706
EHOH811
GDZ4701

site_idAF7
Number of Residues26
Detailsbinding site for residue DZ4 E 705
ChainResidue
EGLN149
ELEU150
EARG164
EHIS167
EASP207
EHIS210
EALA215
EHIS233
EASP311
ELYS312
ETYR315
EASP319
EARG366
ETYR374
EGLN375
EFE701
EMG702
EMG703
EHOH809
EHOH821
EHOH822
EHOH827
EHOH837
EHOH847
EHOH852
EHOH853

site_idAF8
Number of Residues17
Detailsbinding site for residue GTP E 706
ChainResidue
ELYS116
EVAL117
EILE118
EASP137
EGLN142
EARG145
EPHE165
EMG704
EHOH811
EHOH825
FTYR155
FVAL156
FVAL378
FARG451
FLYS455
GLYS523
GDZ4701

site_idAF9
Number of Residues16
Detailsbinding site for residue GTP E 707
ChainResidue
ETYR155
EVAL156
EVAL378
EARG451
ELYS455
FLYS116
FVAL117
FILE118
FASP137
FGLN142
FARG145
FPHE165
FMG704
HLYS523
HDZ4701
HHOH812

site_idAG1
Number of Residues15
Detailsbinding site for residue DZ4 E 708
ChainResidue
EARG333
EARG352
ELYS354
EASN358
ELYS523
GVAL117
GASN119
GMG705
GGTP707
GHOH826
HVAL156
HPHE157
HARG372
HHIS376
HLYS377

site_idAG2
Number of Residues7
Detailsbinding site for residue FE F 701
ChainResidue
FHIS167
FHIS206
FASP207
FASP311
FMG702
FDZ4705
FHOH869

site_idAG3
Number of Residues7
Detailsbinding site for residue MG F 702
ChainResidue
FASP207
FHIS233
FFE701
FDZ4705
FHOH843
FHOH859
FHOH869

site_idAG4
Number of Residues5
Detailsbinding site for residue MG F 703
ChainResidue
FDZ4705
FHOH824
FHOH855
FHOH864
FHOH866

site_idAG5
Number of Residues4
Detailsbinding site for residue MG F 704
ChainResidue
EGTP707
FLYS116
HDZ4701
HHOH812

site_idAG6
Number of Residues30
Detailsbinding site for residue DZ4 F 705
ChainResidue
FGLN149
FLEU150
FARG164
FHIS167
FASP207
FHIS210
FALA215
FHIS233
FASP311
FLYS312
FTYR315
FASP319
FARG366
FTYR374
FGLN375
FFE701
FMG702
FMG703
FHOH812
FHOH824
FHOH825
FHOH837
FHOH855
FHOH859
FHOH864
FHOH866
FHOH869
FHOH871
FHOH881
FHOH901

site_idAG7
Number of Residues17
Detailsbinding site for residue DZ4 F 706
ChainResidue
FARG333
FARG352
FLYS354
FASN358
FLYS523
FHOH820
FHOH845
FHOH878
GVAL156
GPHE157
GARG372
GHIS376
GLYS377
HVAL117
HASN119
HMG705
HGTP707

site_idAG8
Number of Residues17
Detailsbinding site for residue DZ4 G 701
ChainResidue
EVAL117
EASN119
EMG704
EGTP706
EHOH811
FVAL156
FPHE157
FARG372
FHIS376
FLYS377
GARG333
GARG352
GLYS354
GASN358
GLYS523
GHOH872
GHOH879

site_idAG9
Number of Residues7
Detailsbinding site for residue FE G 702
ChainResidue
GHIS167
GHIS206
GASP207
GASP311
GMG703
GDZ4706
GHOH847

site_idAH1
Number of Residues7
Detailsbinding site for residue MG G 703
ChainResidue
GASP207
GHIS233
GFE702
GDZ4706
GHOH847
GHOH862
GHOH866

site_idAH2
Number of Residues5
Detailsbinding site for residue MG G 704
ChainResidue
GDZ4706
GHOH808
GHOH827
GHOH855
GHOH885

site_idAH3
Number of Residues4
Detailsbinding site for residue MG G 705
ChainResidue
EDZ4708
GLYS116
GGTP707
GHOH826

site_idAH4
Number of Residues29
Detailsbinding site for residue DZ4 G 706
ChainResidue
GGLN149
GLEU150
GARG164
GHIS167
GASP207
GHIS210
GALA215
GHIS233
GASP311
GLYS312
GTYR315
GASP319
GARG366
GTYR374
GGLN375
GFE702
GMG703
GMG704
GHOH803
GHOH808
GHOH827
GHOH836
GHOH847
GHOH850
GHOH852
GHOH855
GHOH862
GHOH874
GHOH885

site_idAH5
Number of Residues16
Detailsbinding site for residue GTP G 707
ChainResidue
ELYS523
EDZ4708
GLYS116
GVAL117
GILE118
GASP137
GGLN142
GARG145
GPHE165
GMG705
GHOH826
HTYR155
HVAL156
HVAL378
HARG451
HLYS455

site_idAH6
Number of Residues16
Detailsbinding site for residue DZ4 H 701
ChainResidue
EVAL156
EPHE157
EARG372
EHIS376
ELYS377
EGTP707
EHOH841
FVAL117
FASN119
FMG704
HARG333
HARG352
HLYS354
HASN358
HLYS523
HHOH812

site_idAH7
Number of Residues7
Detailsbinding site for residue FE H 702
ChainResidue
HHIS167
HHIS206
HASP207
HASP311
HMG703
HDZ4706
HHOH845

site_idAH8
Number of Residues7
Detailsbinding site for residue MG H 703
ChainResidue
HASP207
HHIS233
HFE702
HDZ4706
HHOH833
HHOH835
HHOH845

site_idAH9
Number of Residues5
Detailsbinding site for residue MG H 704
ChainResidue
HDZ4706
HHOH804
HHOH808
HHOH817
HHOH826

site_idAI1
Number of Residues3
Detailsbinding site for residue MG H 705
ChainResidue
FDZ4706
FHOH878
HGTP707

site_idAI2
Number of Residues28
Detailsbinding site for residue DZ4 H 706
ChainResidue
HGLN149
HLEU150
HARG164
HHIS167
HASP207
HHIS210
HALA215
HHIS233
HASP311
HLYS312
HTYR315
HASP319
HARG366
HTYR374
HGLN375
HFE702
HMG703
HMG704
HHOH804
HHOH806
HHOH807
HHOH808
HHOH821
HHOH825
HHOH826
HHOH835
HHOH843
HHOH845

site_idAI3
Number of Residues16
Detailsbinding site for residue GTP H 707
ChainResidue
FLYS523
FDZ4706
FHOH878
GTYR155
GVAL156
GVAL378
GARG451
GLYS455
HLYS116
HVAL117
HILE118
HASP137
HGLN142
HARG145
HPHE165
HMG705

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: ACT_SITE => ECO:0000305|PubMed:22056990
ChainResidueDetails
AHIS233
BHIS233
CHIS233
DHIS233
EHIS233
FHIS233
GHIS233
HHIS233

site_idSWS_FT_FI2
Number of Residues40
DetailsBINDING: in chain B => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNP, ECO:0007744|PDB:4TNQ, ECO:0007744|PDB:4TNR, ECO:0007744|PDB:4TNX
ChainResidueDetails
ALYS116
BARG145
CLYS116
CVAL117
CASP137
CGLN142
CARG145
DLYS116
DVAL117
DASP137
DGLN142
AVAL117
DARG145
ELYS116
EVAL117
EASP137
EGLN142
EARG145
FLYS116
FVAL117
FASP137
FGLN142
AASP137
FARG145
GLYS116
GVAL117
GASP137
GGLN142
GARG145
HLYS116
HVAL117
HASP137
HGLN142
AGLN142
HARG145
AARG145
BLYS116
BVAL117
BASP137
BGLN142

site_idSWS_FT_FI3
Number of Residues8
DetailsBINDING: in chain B => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ
ChainResidueDetails
AASN119
BASN119
CASN119
DASN119
EASN119
FASN119
GASN119
HASN119

site_idSWS_FT_FI4
Number of Residues64
DetailsBINDING: BINDING => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ
ChainResidueDetails
AGLN149
BARG164
BHIS210
BALA215
BLYS312
BTYR315
BASP319
BGLN375
CGLN149
CARG164
CHIS210
AARG164
CALA215
CLYS312
CTYR315
CASP319
CGLN375
DGLN149
DARG164
DHIS210
DALA215
DLYS312
AHIS210
DTYR315
DASP319
DGLN375
EGLN149
EARG164
EHIS210
EALA215
ELYS312
ETYR315
EASP319
AALA215
EGLN375
FGLN149
FARG164
FHIS210
FALA215
FLYS312
FTYR315
FASP319
FGLN375
GGLN149
ALYS312
GARG164
GHIS210
GALA215
GLYS312
GTYR315
GASP319
GGLN375
HGLN149
HARG164
HHIS210
ATYR315
HALA215
HLYS312
HTYR315
HASP319
HGLN375
AASP319
AGLN375
BGLN149

site_idSWS_FT_FI5
Number of Residues56
DetailsBINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0007744|PDB:4BZB
ChainResidueDetails
ALEU150
BHIS206
BASP207
BASP311
BARG366
BTYR374
CLEU150
CHIS167
CHIS206
CASP207
CASP311
AHIS167
CARG366
CTYR374
DLEU150
DHIS167
DHIS206
DASP207
DASP311
DARG366
DTYR374
ELEU150
AHIS206
EHIS167
EHIS206
EASP207
EASP311
EARG366
ETYR374
FLEU150
FHIS167
FHIS206
FASP207
AASP207
FASP311
FARG366
FTYR374
GLEU150
GHIS167
GHIS206
GASP207
GASP311
GARG366
GTYR374
AASP311
HLEU150
HHIS167
HHIS206
HASP207
HASP311
HARG366
HTYR374
AARG366
ATYR374
BLEU150
BHIS167

site_idSWS_FT_FI6
Number of Residues32
DetailsBINDING: in chain C => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ
ChainResidueDetails
AVAL156
CARG372
CHIS376
CLYS377
DVAL156
DARG372
DHIS376
DLYS377
EVAL156
EARG372
EHIS376
AARG372
ELYS377
FVAL156
FARG372
FHIS376
FLYS377
GVAL156
GARG372
GHIS376
GLYS377
HVAL156
AHIS376
HARG372
HHIS376
HLYS377
ALYS377
BVAL156
BARG372
BHIS376
BLYS377
CVAL156

site_idSWS_FT_FI7
Number of Residues24
DetailsBINDING: in chain A => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNQ
ChainResidueDetails
AARG333
DARG333
DARG352
DLYS354
EARG333
EARG352
ELYS354
FARG333
FARG352
FLYS354
GARG333
AARG352
GARG352
GLYS354
HARG333
HARG352
HLYS354
ALYS354
BARG333
BARG352
BLYS354
CARG333
CARG352
CLYS354

site_idSWS_FT_FI8
Number of Residues8
DetailsBINDING: in chain A => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4BZB, ECO:0007744|PDB:4TNX
ChainResidueDetails
AASN358
BASN358
CASN358
DASN358
EASN358
FASN358
GASN358
HASN358

site_idSWS_FT_FI9
Number of Residues16
DetailsBINDING: in chain C => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNP, ECO:0007744|PDB:4TNQ, ECO:0007744|PDB:4TNR, ECO:0007744|PDB:4TNX
ChainResidueDetails
AARG451
ELYS455
FARG451
FLYS455
GARG451
GLYS455
HARG451
HLYS455
ALYS455
BARG451
BLYS455
CARG451
CLYS455
DARG451
DLYS455
EARG451

site_idSWS_FT_FI10
Number of Residues8
DetailsBINDING: in chain A => ECO:0000269|PubMed:25267621, ECO:0007744|PDB:4TNP, ECO:0007744|PDB:4TNQ, ECO:0007744|PDB:4TNR, ECO:0007744|PDB:4TNX
ChainResidueDetails
ALYS523
BLYS523
CLYS523
DLYS523
ELYS523
FLYS523
GLYS523
HLYS523

site_idSWS_FT_FI11
Number of Residues8
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
ETHR592
FTHR592
GTHR592
HTHR592

site_idSWS_FT_FI12
Number of Residues40
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
ELYS467
ELYS469
ELYS492
ELYS622
FLYS467
FLYS469
FLYS492
ALYS469
FLYS622
GLYS467
GLYS469
GLYS492
GLYS622
HLYS467
HLYS469
HLYS492
ALYS492
HLYS622
ALYS622
BLYS467
BLYS469
BLYS492

237735

PDB entries from 2025-06-18

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