3G15
Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP
Replaces: 3F2SFunctional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE ADP A 601 |
| Chain | Residue |
| A | HOH49 |
| A | GLY310 |
| A | ASN311 |
| A | ILE329 |
| A | ASP330 |
| A | GLU332 |
| A | HOH490 |
| A | MG602 |
| A | SO4604 |
| A | MG605 |
| A | ARG117 |
| A | LEU124 |
| A | LEU144 |
| A | ARG146 |
| A | PRO194 |
| A | GLN207 |
| A | ILE209 |
| A | ARG213 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 602 |
| Chain | Residue |
| A | HOH49 |
| A | ASN311 |
| A | ASP330 |
| A | ADP601 |
| A | SO4604 |
| A | MG605 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE HC6 A 603 |
| Chain | Residue |
| A | UNX2 |
| A | ASP306 |
| A | GLN308 |
| A | TYR333 |
| A | TYR354 |
| A | PHE361 |
| A | TRP420 |
| A | TRP423 |
| A | ILE433 |
| A | GLU434 |
| A | PHE435 |
| A | TYR440 |
| A | SO4604 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SO4 A 604 |
| Chain | Residue |
| A | HOH39 |
| A | HOH49 |
| A | HOH50 |
| A | ASP306 |
| A | GLN308 |
| A | ASN311 |
| A | ASP330 |
| A | GLU332 |
| A | ADP601 |
| A | MG602 |
| A | HC6603 |
| A | MG605 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 605 |
| Chain | Residue |
| A | HOH39 |
| A | ASP330 |
| A | GLU332 |
| A | ADP601 |
| A | MG602 |
| A | SO4604 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX A 606 |
| Chain | Residue |
| A | GLU309 |
| A | GLU349 |
| A | TYR352 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX A 1 |
| Chain | Residue |
| A | PRO85 |
| A | ARG86 |
| B | ASN365 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE UNX A 2 |
| Chain | Residue |
| A | TYR354 |
| A | TYR356 |
| A | PHE361 |
| A | HC6603 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX A 3 |
| Chain | Residue |
| A | UNX4 |
| A | TYR437 |
| A | MET438 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE UNX A 4 |
| Chain | Residue |
| A | UNX3 |
| A | LYS273 |
| A | TYR359 |
| A | GLY436 |
| A | TYR437 |
| A | MET438 |
| A | ASP439 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE UNX A 12 |
| Chain | Residue |
| A | TYR148 |
| A | MET177 |
| A | ILE199 |
| A | PHE200 |
| A | GLY203 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE UNX A 13 |
| Chain | Residue |
| A | HIS304 |
| A | ASP306 |
| A | ASP330 |
| A | PHE331 |
| A | GLU332 |
| A | TYR333 |
| A | SER334 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX A 14 |
| Chain | Residue |
| A | PRO83 |
| A | GLU84 |
| A | THR87 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE UNX A 16 |
| Chain | Residue |
| A | PHE184 |
| A | ALA188 |
| A | GLY193 |
| A | PRO194 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE UNX A 17 |
| Chain | Residue |
| A | ASP215 |
| A | THR216 |
| A | GLU217 |
| A | HOH532 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE UNX A 19 |
| Chain | Residue |
| A | HOH471 |
| A | LEU455 |
| site_id | BC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE UNX A 20 |
| Chain | Residue |
| A | ARG104 |
| site_id | BC9 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ADP B 601 |
| Chain | Residue |
| B | HOH2 |
| B | LEU124 |
| B | LEU144 |
| B | ARG146 |
| B | PRO194 |
| B | GLN207 |
| B | PHE208 |
| B | ILE209 |
| B | GLY310 |
| B | ASN311 |
| B | ILE329 |
| B | ASP330 |
| B | GLU332 |
| B | HOH488 |
| B | HOH501 |
| B | HOH557 |
| B | MG602 |
| B | SO4604 |
| B | MG605 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 602 |
| Chain | Residue |
| B | HOH2 |
| B | ASN311 |
| B | ASP330 |
| B | ADP601 |
| B | SO4604 |
| site_id | CC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE HC6 B 603 |
| Chain | Residue |
| B | ASP306 |
| B | TYR333 |
| B | TYR354 |
| B | PHE361 |
| B | TRP420 |
| B | TRP423 |
| B | ILE433 |
| B | GLU434 |
| B | PHE435 |
| B | TYR440 |
| B | SO4604 |
| site_id | CC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 B 604 |
| Chain | Residue |
| B | HOH2 |
| B | ASP306 |
| B | GLN308 |
| B | ASN311 |
| B | ASP330 |
| B | GLU332 |
| B | HOH549 |
| B | ADP601 |
| B | MG602 |
| B | HC6603 |
| B | MG605 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 605 |
| Chain | Residue |
| B | HOH1 |
| B | ASP330 |
| B | GLU332 |
| B | ADP601 |
| B | SO4604 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX B 606 |
| Chain | Residue |
| B | GLU309 |
| B | GLU349 |
| B | TYR352 |
| site_id | CC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE UNX B 5 |
| Chain | Residue |
| B | ARG212 |
| B | ARG213 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE UNX B 6 |
| Chain | Residue |
| B | PRO222 |
| B | ASP223 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE UNX B 7 |
| Chain | Residue |
| B | PHE265 |
| B | THR266 |
| B | GLU267 |
| B | ARG270 |
| site_id | CC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE UNX B 8 |
| Chain | Residue |
| B | PHE265 |
| B | ILE271 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX B 9 |
| Chain | Residue |
| B | ARG270 |
| B | TYR437 |
| B | MET438 |
| site_id | DC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE UNX B 10 |
| Chain | Residue |
| A | ARG86 |
| A | THR87 |
| B | ASN365 |
| site_id | DC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE UNX B 15 |
| Chain | Residue |
| B | PRO246 |
| B | PHE250 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE UNX B 18 |
| Chain | Residue |
| B | TYR356 |
| B | GLU357 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 22 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17007874","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20299452","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2CKP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G15","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17007874","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2CKQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"34077757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"34077757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1l8t |
| Chain | Residue | Details |
| A | ASP306 | |
| A | ARG146 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1l8t |
| Chain | Residue | Details |
| B | ASP306 |
