Structure of PDB 6ky3 Chain A Binding Site BS01

Receptor Information
>6ky3 Chain A (length=353) Species: 35525 (Daphnia magna) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHMVDAAVAEKLEAGFQKLQEATNCKSLLKKHLTREIFDKIKDLKTS
FGSTLLDVIQSGVENLDSGFGVYAPDAEAYSVFNDLFEPMICDYHTGFKP
GDAHPPRDFGDLETFGNLDPEGAFIVSTRVRCGRSLAGYAFNPCLTEANY
KEMEEKVVASLSSLEGELKGTYYPLTGMTKEVQTQLIQDRFLFKEGDRFL
QAANACRYWPTGRGIYHNDAKTFLVWCNEEDHLRIISMQKGGDLKAVYAR
LVNAINEIEKRIPFSHHDKYGFLTFCPTNLGTTIRASVAIALPKLAADLA
KLEEAAGKFNLQVRGGGVYDISNKRRMGLTEYQAVKEMYDGLQELIRMEK
EAA
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain6ky3 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ky3 Insight into Structural Aspects of Histidine 284 of Daphnia magna Arginine Kinase.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		S63 G64 F65 Y68 E225 C271
Binding residue
(residue number reindexed from 1)		S68 G69 F70 Y73 E230 C276
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R126 E225 R229 C271 T273 R280 R309
Catalytic site (residue number reindexed from 1) R131 E230 R234 C276 T278 R285 R314
Enzyme Commision number 2.7.3.3: arginine kinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004054 arginine kinase 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6ky3, PDBe:6ky3, PDBj:6ky3
PDBsum6ky3
PubMed32863281
UniProtA0A0A7CK57

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