Structure of PDB 1rtg Chain A Binding Site BS01

Receptor Information
>1rtg Chain A (length=203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPL
LVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLT
SLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIA
DAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDW
LGC
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 chain1rtg Chain A Residue 2 [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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PDB1rtg The C-terminal (haemopexin-like) domain structure of human gelatinase A (MMP2): structural implications for its function.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		I478 V523 A571 V620
Binding residue
(residue number reindexed from 1)		I21 V66 A114 V163
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.24: gelatinase A.
External links
PDB RCSB:1rtg, PDBe:1rtg, PDBj:1rtg
PDBsum1rtg
PubMed8549817
UniProtP08253|MMP2_HUMAN 72 kDa type IV collagenase (Gene Name=MMP2)

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