Structure of PDB 8yr4 Chain A Binding Site BS01

Receptor Information

>8yr4 Chain A (length=586) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DFGRKLRLLSGYLWPRGSPALQLVVLICLGLMGLERALNVLVPIFYRNIV
NLLTEKAPWNSLAWTVTSYVFLKFLQGGGTGSTGFVSNLRTFLWIRVQQF
TSRRVELLIFSHLHELSLRWHLGRRTGEVLRIADRGTSSVTGLLSYLVFN
VIPTLADIIIGIIYFSMFFNAWFGLIVFLCMSLYLTLTIVVTEWRTKFRR
AMNTQENATRARAVDSLLNFETVKYYNAESYEVERYREAIIKYQGLEWKS
SASLVLLNQTQNLVIGLGLLAGSLLCAYFVTEQKLQVGDYVLFGTYIIQL
YMPLNWFGTYYRMIQTNFIDMENMFDLLKEETEVKDLPGAGPLRFQKGRI
EFENVHFSYADGRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFY
DISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVT
AGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIART
ILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVN
ADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQQ

Ligand information

Ligand ID

FGA

InChI

InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1

InChIKey

WHUUTDBJXJRKMK-GSVOUGTGSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.2	C(CC(=O)O)[C@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.2	C(CC(=O)O)C(C(=O)O)N
CACTVS 3.370	N[C@H](CCC(O)=O)C(O)=O
CACTVS 3.370	N[CH](CCC(O)=O)C(O)=O

Formula

C5 H9 N O4

Name

GAMMA-D-GLUTAMIC ACID;
D-GLUTAMIC ACID

PDB chain

8yr4 Chain I Residue 101 [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	8yr4 Cryo-EM structure of cadmium-bound human ABCB6.
Resolution	3.1 Å
Binding residue (original residue number in PDB)	N545 W546
Binding residue (residue number reindexed from 1)	N305 W306
Annotation score	1

External links

PDB	RCSB:8yr4, PDBe:8yr4, PDBj:8yr4
PDBsum	8yr4
PubMed	38822018
UniProt	Q9NP58\|ABCB6_HUMAN ATP-binding cassette sub-family B member 6 (Gene Name=ABCB6)

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