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Structure of PDB 2a2z Chain C Binding Site BS03

Receptor Information >2a2z Chain C (length=222) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] RIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTNVLQM MYEKPERWSFTFQTYACLSRIRAQLASLNGKEKPVLFFERSVYSDRYIFA SNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHR IYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDV NEDFKDKYESLVEKVKEFLSTL

Ligand information Ligand ID UDP InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 InChIKey XCCTYIAWTASOJW-XVFCMESISA-N SMILES Software SMILES OpenEye OEToolkits 1.7.0 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O CACTVS 3.370 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O CACTVS 3.370 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O OpenEye OEToolkits 1.7.0 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O ACDLabs 12.01 O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O Formula C9 H14 N2 O12 P2 Name URIDINE-5'-DIPHOSPHATE ChEMBL CHEMBL130266 DrugBank DB03435 ZINC ZINC000004490939 PDB chain 2a2z Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2a2z Structural basis for the preference of UTP over ATP in human deoxycytidine kinase: illuminating the role of main-chain reorganization. Resolution 3.02 Å Binding residue (original residue number in PDB) A31 A32 G33 K34 S35 T36 R188 R192 D241 F242 Binding residue (residue number reindexed from 1) A12 A13 G14 K15 S16 T17 R150 R154 D203 F204 Annotation score 2

Enzymatic activity Catalytic site (original residue number in PDB) E53 R128 Catalytic site (residue number reindexed from 1) E34 R90 Enzyme Commision number 2.7.1.113: deoxyguanosine kinase. 2.7.1.74: deoxycytidine kinase. 2.7.1.76: deoxyadenosine kinase.

Gene Ontology Molecular Function GO:0004136 deoxyadenosine kinase activity GO:0004137 deoxycytidine kinase activity GO:0004138 deoxyguanosine kinase activity GO:0005515 protein binding GO:0005524 ATP binding GO:0016301 kinase activity GO:0019136 deoxynucleoside kinase activity GO:0042803 protein homodimerization activity GO:0043771 cytidine kinase activity

	Biological Process
GO:0006139	nucleobase-containing compound metabolic process
GO:0006220	pyrimidine nucleotide metabolic process
GO:0009224	CMP biosynthetic process
GO:0016310	phosphorylation
GO:0106383	dAMP salvage
GO:1901135	carbohydrate derivative metabolic process
GO:1901293	nucleoside phosphate biosynthetic process

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol

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