Structure of PDB 3lnc Chain B Binding Site BS01

Receptor Information
>3lnc Chain B (length=188) Species: 212042 (Anaplasma phagocytophilum str. HZ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLKSVGVILVLSSPSTVANKLLENIVKSVSVTTRAARKGEKEGKDYYFV
DREEFLRLCSNGEIIEHAEVFGNFYGVPRKNLEDNVDKGVSTLLVIDWQG
AFKFMEMMREHVVSIFIMPPSMEELRRRARLKGAAFEISHCEAYDYVIVN
EDIEETADRISNILRAEQMKTCRQVGLRELLESRFPIE
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 chain3lnc Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lnc Crystal structure of guanylate kinase from Anaplasma phagocytophilum
Resolution1.95 Å
Binding residue
(original residue number in PDB)		S15 S39 R43 Y55 E74 V78 Y83 G84 V85 V103 I104 D105 G108
Binding residue
(residue number reindexed from 1)		S16 S31 R35 Y47 E66 V70 Y75 G76 V77 V95 I96 D97 G100
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.4.8: guanylate kinase.
Gene Ontology
Molecular Function
GO:0004385 guanylate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006163 purine nucleotide metabolic process
GO:0016310 phosphorylation
GO:0046037 GMP metabolic process
GO:0046710 GDP metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lnc, PDBe:3lnc, PDBj:3lnc
PDBsum3lnc
PubMed
UniProtQ2GLF7|KGUA_ANAPZ Guanylate kinase (Gene Name=gmk)

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