Structure of PDB 8k9e Chain B Binding Site BS04

Receptor Information
>8k9e Chain B (length=951) Species: 324602 (Chloroflexus aurantiacus J-10-fl) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTYQPRQYIAPFDRQPEGRVPGIPQYFASTLTLGGYGTGVLVRSNEGRPT
KVEGNPRHPASLGGTDLFAQAEILTMYDPDRSTTVLRQGVPSTWAEFTTT
LGNALTAARATQGAGVRLLTTTITSPSLAAQIEQFLQAYPQARWYQYEPI
NRDNVVAGARLAFGRDVTTRYDLSAAQVVVSLDADFLAPGPGFVAYARAF
AERRKVRKDSTTMNRLYVVEASPSTTGTAADHRLPLRADAIAAFTGALAN
ELGVGGAPATLSPKAEEFLRAIARDLEEHRGQSVVIAGDQQPPIVHALAH
LINAELGNVGQTVFYHEPVEARPTNQTEELVALVSEMAAGRVETLIMIGG
NPVYNAPGDLRFADRMASVPLTIHLSQFVDETSARATWHIPQAHPLESWG
DARAFDGTASIVQPLIEPLYGGKTANELLAAMLGQPEAESYDLVRSFWLE
QIGETGWQVALANGVIAETVAPVIEPTLNEGAIRATPIPQPGDGVEIVFR
PDPSLFDGFYANNGWLQELPRPLTKLVWDNAALMSPRTAIKLLGLPFNAD
RLIGTEADDRERQQYLEQLSKVNGTIARIEYRGGIIEIPIWLLPGHAEDS
ITLNLGYGRTHAGRVGNNVGIDVYPIRTSDSPWFGAGARVTNTGRTYLLV
STQDHWTLEGRDIYRVGEFKKFKEDPKYIAKEVYQEEYGRETPNYQSLQP
GDDYTGRNAWGMTINLNACIGCNACVVACQAENNIAVVGKDQVSRGREMH
WIRIDRYFAGEDLDNPSIYMMPVNCMQCEKAPCEVVCPVAATVHDYEGLN
NMVYNRCVGTKYCSNNCPYKVRRFNFLQYSDTTTETFKLAFNPDVTVRIR
GVMEKCTYCVQRISGARIAAKRAAVQAGQSSYVISDGAIQTACEQACPTG
AIVFGDINDSNSRVAKWKAEGHNYGLLGFLNTVPRTTYLARVRNPSEELE
K
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8k9e Chain B Residue 1102 [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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PDB8k9e Cryo-EM structure of HQNO-bound Alternative Complex III from the anoxygenic phototrophic bacterium Chloroflexus aurantiacus.
Resolution3.33 Å
Binding residue
(original residue number in PDB)
C804 N808 C931 Y933 C934 T966 C968
Binding residue
(residue number reindexed from 1)
C729 N733 C856 Y858 C859 T891 C893
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links