Structure of PDB 9clp Chain A Binding Site BS03

Receptor Information
>9clp Chain A (length=420) Species: 40353 (Echis carinatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERKFEKKFIELVVVVDHSMVTKYNNDSTAIRTWIYEMLNTVNEIYLPFNI
RVALVGLEFWCNGDLINVTSTADDTLHSFGEWRASDLLNRKRHDHAQLLT
NVTLDHSTLGITFVYGMCKSDRSVELILDYSNITFNMAYIIAHEMGHSLG
MLHDTKFCTCGAKPCIMFGKESIPPPKEFSSCSYDQYNKYLLKYNPKCIL
DPPLRKDIASPAVCGNEIWEEGEECDCGSPADCRNPCCDAATCKLKPGAE
CGNGECCDKCKIRKAGTECRPARDDCDVAEHCTGQSAECPRNEFQRNGQP
CLNNSGYCYNGDCPIMLNQCIALFSPSATVAQDSCFQRNLQGSYYGYCTK
EIGYYGKRFPCAPQDVKCGRLYCLDNSFKKNMRCKNDYSYADENKGIVEP
GTKCEDGKVCINRKCVDVNT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain9clp Chain A Residue 703 [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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PDB9clp Importance of the Cysteine-Rich Domain of Snake Venom Prothrombin Activators: Insights Gained from Synthetic Neutralizing Antibodies.
Resolution3.43 Å
Binding residue
(original residue number in PDB)		R464 D471 V472 N486
Binding residue
(residue number reindexed from 1)		R270 D277 V278 N292
Annotation score4
External links
PDB RCSB:9clp, PDBe:9clp, PDBj:9clp
PDBsum9clp
PubMed39195771
UniProtQ90495|VM3E_ECHCA Zinc metalloproteinase-disintegrin-like ecarin

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