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Receptor Information

>6csm Chain D (length=277) Species: 905079 (Guillardia theta CCMP2712) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ITCDPAIYGEWSRENQFCVEKSLITLDGIKYVQLVMAVVSACQVFFMVTR
APKVPWEAIYLPTTEMITYSLAFTGNGYIRVANGKYLPWARMASWLCTCP
IMLGLVSNMALVKYKSIPLNPMMIAASSICTVFGITASVVLDPLHVWLYC
FISSIFFIFEMVVAFAIFAITIHDFQTIGSPMSLKVVERLKLMRIVFYVS
WMAYPILWSFSSTGACIMSENTSSVLYLLGDALCKNTYGILLWATTWGLL
NGKWDRDYVKGRNVDGTLMPEYEQDLE

Ligand ID

RET

InChI

InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

InChIKey

NCYCYZXNIZJOKI-OVSJKPMPSA-N

SMILES

Software	SMILES
CACTVS 3.370	CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01	O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370	CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

Formula

C20 H28 O

Name

RETINAL

PDB chain

6csm Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6csm Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	W98 C102 M105 C133 F160 Y207 W211 D234 C237 K238
Binding residue (residue number reindexed from 1)	W95 C99 M102 C130 F157 Y204 W208 D231 C234 K235
Annotation score	4

Enzyme Commision number

PDB	RCSB:6csm, PDBe:6csm, PDBj:6csm
PDBsum	6csm
PubMed	30158697
UniProt	L1J207

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Structure of PDB 6csm Chain D Binding Site BS01