Structure of PDB 7mx4 Chain A Binding Site BS02

Receptor Information

>7mx4 Chain A (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EHVSFHVIQIFSFVNQSWARGQGSGWLDELQTHGWDSESGTIIFLHQWSK
GQFSNEELSDLELLFRFYLFGLTREIQDHASQDYSKYPFEVQVKAGCELH
SGGSPEGFFQVAFNGLDLLSFQQTTWVPSPGCGSLAQSVCHLLNHQYEGV
TETVYNLIRSTCPRFLLGLLDAGKMYVHRQVRPEAWLSSGPSPGPGRLQL
VCHVSGFYPKPVWVMWMRGEQEQQGTQLGDILPNANGTWYLRATLDVADG
EAAGLSCRVKHSSLEGQDIILYWRGSL

Ligand information

Ligand ID

ZP7

InChI

InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1

InChIKey

QHZLMUACJMDIAE-SFHVURJKSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OCC(CO)O
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
ACDLabs 12.01	OCC(O)COC(=O)CCCCCCCCCCCCCCC

Formula

C19 H38 O4

Name

(2S)-2,3-dihydroxypropyl hexadecanoate

PDB chain

7mx4 Chain A Residue 304 [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	7mx4 Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells.
Resolution	1.73 Å
Binding residue (original residue number in PDB)	F72 H84 S143
Binding residue (residue number reindexed from 1)	F67 H79 S138
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7mx4, PDBe:7mx4, PDBj:7mx4
PDBsum	7mx4
PubMed	34536421
UniProt	P29016\|CD1B_HUMAN T-cell surface glycoprotein CD1b (Gene Name=CD1B); P29017\|CD1C_HUMAN T-cell surface glycoprotein CD1c (Gene Name=CD1C)

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