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5FTG

Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a)

Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE NBR A 1458
ChainResidue
AASN305
ATRP423
AGLU434
APHE435
ATYR440
AEDO1466
AASP306
AGLN308
ATYR333
AGLU349
ATYR354
AGLU357
APHE361
ATRP420

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1459
ChainResidue
ATHR216
AGLU217
ALEU219
ASER220
ATRP350

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1460
ChainResidue
ATYR369
AGLN374

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1461
ChainResidue
ATRP350
AMET351
AARG363
AHOH2225
AHOH2238

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1462
ChainResidue
AARG89
ALEU93
APHE449
ALYS452
AARG453

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1463
ChainResidue
AASP80
AHIS112
ASER114
AGLN126
ASER128

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1464
ChainResidue
AGLU175
ALEU179
APRO201

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1465
ChainResidue
ALEU293
AGLU294
ATHR296
ASER298
ATYR338
APHE412
AHOH2193

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1466
ChainResidue
AASP306
AGLN308
ATRP423
ANBR1458
AHOH2221

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1467
ChainResidue
ATYR352
AALA443
AASP446
AALA447
AHOH2287
AHOH2290

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1468
ChainResidue
AMET351
ATYR369
AHIS417
AALA447
AHIS450
AGLN451

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:17007874, ECO:0000269|PubMed:20299452, ECO:0007744|PDB:2CKP, ECO:0007744|PDB:3G15
ChainResidueDetails
AARG117
AARG146
AGLN207
AASP330

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:17007874, ECO:0007744|PDB:2CKQ
ChainResidueDetails
AGLY119

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
AGLN308

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:34077757
ChainResidueDetails
ALYS247

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:34077757
ChainResidueDetails
ASER279

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PDB entries from 2024-07-17

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