Structure of PDB 1c9k Chain B Binding Site BS01

Receptor Information
>1c9k Chain B (length=180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MILVTGGARSGKSRHAEALIGDAPQVLYIATSQILDDEMAARIQHHKDGR
PAHWRTAECWRHLDTLITADLAPDDAILLECITTMVTNLLFALGGENDPE
QWDYAAMERAIDDEIQILIAACQRCPAKVVLVTNEVGMGIVPENRLARHF
RDIAGRVNQRLAAAADEVWLVVSGIGVKIK
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain1c9k Chain B Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c9k Three-dimensional structure of adenosylcobinamide kinase/adenosylcobinamide phosphate guanylyltransferase (CobU) complexed with GMP: evidence for a substrate-induced transferase active site.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y28 A30 S32 I43 H46 R50 E58 E80
Binding residue
(residue number reindexed from 1)		Y28 A30 S32 I43 H46 R50 E58 E80
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.156: adenosylcobinamide kinase.
2.7.7.62: adenosylcobinamide-phosphate guanylyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0008820 cobinamide phosphate guanylyltransferase activity
GO:0016301 kinase activity
GO:0043752 adenosylcobinamide kinase activity
Biological Process
GO:0009236 cobalamin biosynthetic process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1c9k, PDBe:1c9k, PDBj:1c9k
PDBsum1c9k
PubMed10529169
UniProtQ05599|COBU_SALTY Bifunctional adenosylcobalamin biosynthesis protein CobU (Gene Name=cobU)

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