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3G15

Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP

Replaces:  3F2S
Functional Information from PDB Data
site_idAC1
Number of Residues18
DetailsBINDING SITE FOR RESIDUE ADP A 601
ChainResidue
AHOH49
AGLY310
AASN311
AILE329
AASP330
AGLU332
AHOH490
AMG602
ASO4604
AMG605
AARG117
ALEU124
ALEU144
AARG146
APRO194
AGLN207
AILE209
AARG213

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 602
ChainResidue
AHOH49
AASN311
AASP330
AADP601
ASO4604
AMG605

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HC6 A 603
ChainResidue
AUNX2
AASP306
AGLN308
ATYR333
ATYR354
APHE361
ATRP420
ATRP423
AILE433
AGLU434
APHE435
ATYR440
ASO4604

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE SO4 A 604
ChainResidue
AHOH39
AHOH49
AHOH50
AASP306
AGLN308
AASN311
AASP330
AGLU332
AADP601
AMG602
AHC6603
AMG605

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 605
ChainResidue
AHOH39
AASP330
AGLU332
AADP601
AMG602
ASO4604

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 606
ChainResidue
AGLU309
AGLU349
ATYR352

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 1
ChainResidue
APRO85
AARG86
BASN365

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX A 2
ChainResidue
ATYR354
ATYR356
APHE361
AHC6603

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 3
ChainResidue
AUNX4
ATYR437
AMET438

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE UNX A 4
ChainResidue
AUNX3
ALYS273
ATYR359
AGLY436
ATYR437
AMET438
AASP439

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE UNX A 12
ChainResidue
ATYR148
AMET177
AILE199
APHE200
AGLY203

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE UNX A 13
ChainResidue
AHIS304
AASP306
AASP330
APHE331
AGLU332
ATYR333
ASER334

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX A 14
ChainResidue
APRO83
AGLU84
ATHR87

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX A 16
ChainResidue
APHE184
AALA188
AGLY193
APRO194

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX A 17
ChainResidue
AASP215
ATHR216
AGLU217
AHOH532

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX A 19
ChainResidue
AHOH471
ALEU455

site_idBC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE UNX A 20
ChainResidue
AARG104

site_idBC9
Number of Residues19
DetailsBINDING SITE FOR RESIDUE ADP B 601
ChainResidue
BHOH2
BLEU124
BLEU144
BARG146
BPRO194
BGLN207
BPHE208
BILE209
BGLY310
BASN311
BILE329
BASP330
BGLU332
BHOH488
BHOH501
BHOH557
BMG602
BSO4604
BMG605

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 602
ChainResidue
BHOH2
BASN311
BASP330
BADP601
BSO4604

site_idCC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE HC6 B 603
ChainResidue
BASP306
BTYR333
BTYR354
BPHE361
BTRP420
BTRP423
BILE433
BGLU434
BPHE435
BTYR440
BSO4604

site_idCC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 B 604
ChainResidue
BHOH2
BASP306
BGLN308
BASN311
BASP330
BGLU332
BHOH549
BADP601
BMG602
BHC6603
BMG605

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 605
ChainResidue
BHOH1
BASP330
BGLU332
BADP601
BSO4604

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 606
ChainResidue
BGLU309
BGLU349
BTYR352

site_idCC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX B 5
ChainResidue
BARG212
BARG213

site_idCC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX B 6
ChainResidue
BPRO222
BASP223

site_idCC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE UNX B 7
ChainResidue
BPHE265
BTHR266
BGLU267
BARG270

site_idCC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX B 8
ChainResidue
BPHE265
BILE271

site_idDC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 9
ChainResidue
BARG270
BTYR437
BMET438

site_idDC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE UNX B 10
ChainResidue
AARG86
ATHR87
BASN365

site_idDC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX B 15
ChainResidue
BPRO246
BPHE250

site_idDC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE UNX B 18
ChainResidue
BTYR356
BGLU357

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:17007874, ECO:0000269|PubMed:20299452, ECO:0007744|PDB:2CKP, ECO:0007744|PDB:3G15
ChainResidueDetails
AARG117
AARG146
AGLN207
AASP330
BARG117
BARG146
BGLN207
BASP330

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:17007874, ECO:0007744|PDB:2CKQ
ChainResidueDetails
AGLY119
BGLY119

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
AGLN308
BGLN308

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:34077757
ChainResidueDetails
ALYS247
BLYS247

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:34077757
ChainResidueDetails
ASER279
BSER279

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1l8t
ChainResidueDetails
AASP306
AARG146

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1l8t
ChainResidueDetails
BASP306

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PDB entries from 2024-11-06

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