Structure of PDB 1vrp Chain B Binding Site BS03

Receptor Information
>1vrp Chain B (length=374) Species: 7787 (Tetronarce californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKWKLNYSAAEEFPDLSKHNNHMAKALTLDIYKKLRDKETPSGFTLDDII
QTGVDNPGHPFIMTVGCVAGDEECYEVFKDLFDPVIEDRHGGYKPTDKHK
TDLNQENLKGGDDLDPNYVLSSRVRTGRSIKGIALPPHCSRGERRLVEKL
CIDGLATLTGEFQGKYYPLSSMSDAEQQQLIDDHFLFDKPISPLLLASGM
ARDWPDGRGIWHNNDKTFLVWVNEEDHLRVISMQKGGNMKEVFRRFCVGL
KKIEDIFVKAGRGFMWNEHLGYVLTCPSNLGTGLRGGVHVKIPHLCKHEK
FSEVLKRTRLQKRGTGGVDTAAVGSIYDISNADRLGFSEVEQVQMVVDGV
KLMVEMEKRLENGKSIDDLMPAQK
Ligand information
Ligand IDIOM
InChIInChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)
InChIKeyYNHURFGTTODJOO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(C)C(N)N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(N)N
CACTVS 3.341CN(CC(O)=O)C(N)N
FormulaC4 H11 N3 O2
Name(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
ChEMBL
DrugBankDB02490
ZINCZINC000019329420
PDB chain1vrp Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vrp The 2.1 A Structure of Torpedo californica Creatine Kinase Complexed with the ADP-Mg(2+)-NO3(-)-Creatine Transition-State Analogue Complex
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T71 V72 L201 E232 C283
Binding residue
(residue number reindexed from 1)		T64 V65 L194 E225 C276
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R132 E232 R236 C283 S285 R292 R320 V325
Catalytic site (residue number reindexed from 1) R125 E225 R229 C276 S278 R285 R313 V318
Enzyme Commision number 2.7.3.2: creatine 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
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vrp, PDBe:1vrp, PDBj:1vrp
PDBsum1vrp
PubMed12437342
UniProtP04414|KCRM_TETCF Creatine kinase M-type

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