Structure of PDB 8pnh Chain A Binding Site BS01

Receptor Information
>8pnh Chain A (length=386) Species: 1198452 (Janthinobacterium sp. HH01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HRLDDITARGVLRVGTTGDYKPFSSRAGNDFVGLDIELAADLARTLGVPV
QIVPTSWPTLMKDFGDGKFDIALGGVSITPERQKQGLFSVSYLRDGKTPI
TRCENSARFQTLAQIDQPGVRLVVNPGGTNERFARSQAPNAQLTVYPDNV
TIFDQIVTGAADLMITDAIETRLQQRLRPQLCAVHPDTPFDFAEKAILLP
RDVAFKAVVDKWLQQRIASGAVQRSVDRWLDFPWGLEPLRLAIDQRLLLA
QAVARAKWNVQAPIEDLGREAQVIQAAVKEGAALGLPKVWIETVFRAQIE
ASKTVQRELFAQWSAQQAGKFDDAPDLAKTIRPELDRLTTQLLRSMASNQ
TVLNDEARKADVARAMRALEARALSPQAATQALAPF
Ligand information
Ligand IDTSA
InChIInChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
InChIKeyKRZHNRULRHECRF-JQCUSGDOSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2
CACTVS 3.341O[C@@H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O
CACTVS 3.341O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O
FormulaC10 H12 O6
Name8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
ChEMBLCHEMBL197577
DrugBankDB08648
ZINCZINC000005851130
PDB chain8pnh Chain A Residue 501 [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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PDB8pnh Chorismate mutase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R276 K287 I294 R299 E300 Q336 R362
Binding residue
(residue number reindexed from 1)		R246 K257 I264 R269 E270 Q306 R332
Annotation score1
External links