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BioLiP

Structure of PDB 4v7n Chain BF Binding Site BS01

Receptor Information
>4v7n Chain BF (length=382) Species: 243920 (Namalycastis sp. ST01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVKNRVGHSKPWESGKFKAADNFPDLSKHNNVMASQLTKELYEKYWDKVT
PNGVTFDKCIQTGVDNPGNKFYGKKTGCVFGDEYSYECYKEFFDKCIEEI
HHFKPSDKHPAPDLDHNKLVGGVFEDKYVKSCRIRCGRSVKGVCLPPAMS
RAERRLVEKVVSDALGGLKGDLAGKYYPLTTMNEKDQEQLIEDHFLFEKP
TGALLTTSGCARDWPDGRGIWHNNEKNFLVWINEEDHIRVISMQKGGDLK
AVFSRFARGLLEVERLMKECGHGLMHNDRLGYICTCPTNMGTVVRASVHL
RLAFLEKHPRFDEMLGKLRLGKRGTGGESSLATDSTYDISNWARLGKSER
ELVQVLVDGVNLLIACDKKLEAGQSIDDMIPK
Ligand information
Ligand IDNMG
InChIInChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKeyBPMFZUMJYQTVII-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CNC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NCC(=O)O
CACTVS 3.341NC(=N)NCC(O)=O
OpenEye OEToolkits 1.5.0[H]N=C(N)NCC(=O)O
FormulaC3 H7 N3 O2
NameGUANIDINO ACETATE;
N-[AMINO(IMINO)METHYL]GLYCINE
ChEMBLCHEMBL281593
DrugBankDB02751
ZINCZINC000000895314
PDB chain4v7n Chain BF Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4v7n Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T84 L212 E243 C294 E336
Binding residue
(residue number reindexed from 1)		T76 L204 E235 C286 E328
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.3.1: guanidinoacetate kinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004111 creatine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation
GO:0046314 phosphocreatine biosynthetic process

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Molecular Function
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Biological Process
External links

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