Structure of PDB 7rje Chain T Binding Site BS03

Receptor Information
>7rje Chain T (length=384) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPTRKSNTYLSLVNSYLIDSPQPSSINYWWNLGSLLGLCLVIQIASGVFL
AMHYSSNIELAFDSVEHIMRDVNAGWLIRYIHANGASFFFICMYLHIGKA
LYYGSYKQPRVMLWVIGVVIFILTMAIAFMGYCLVYGQMSHWGATVITNL
LSAIPFIGNDIVPFIWGGFSVSNPTIQRFFALHFLLPFILAALVCMHLMA
LHVHGSSNPVGITGNIDRLPMHPYFIFKDLITVFVFLLIFSLFVFYSPNT
LGHPDNYIPGNPMVTPPSIVPEWYLLPFYAILRSIPDKLGGVIAMFGAIL
ILLSLPYTDRSIIRGNSFKVLSKLAFYLFVFNFILLGNLGQLHVEVPYIQ
LGQFATAYYFAHYIIVVPVISTLENILYYIGTQT
Ligand information
Ligand IDZL5
InChIInChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3
InChIKeyMMEFXWUINPSTPN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C)c23)nn1
CACTVS 3.385Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c4cccc(C)c24)n1
OpenEye OEToolkits 2.0.7Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C
FormulaC18 H14 F4 N6
Name3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
ChEMBL
DrugBank
ZINC
PDB chain7rje Chain T Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7rje Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		M125 A128 F129 Y132 M139 G143 I147 V270 P271 E272 Y274 L275 Y279 M295
Binding residue
(residue number reindexed from 1)		M125 A128 F129 Y132 M139 G143 I147 V270 P271 E272 Y274 L275 Y279 M295
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0000792 heterochromatin
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0045275 respiratory chain complex III

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7rje, PDBe:7rje, PDBj:7rje
PDBsum7rje
PubMed34525326
UniProtP0C8L0|CYB_CANAL Cytochrome b (Gene Name=COB)

[Back to BioLiP]