Structure of PDB 3k2d Chain A Binding Site BS01

Receptor Information

>3k2d Chain A (length=237) Species: 672 (Vibrio vulnificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GHMDTSKVKVGVMAGAEAQVAEVAAKVAKEKYGLDVELVTFTDYVTPNAA
LDDGSIDMNAFQHKPYLDRQVEDRDYKLTIAGNTFVYPIAGYSKQVKSVA
ALADGVRIAVPNDPTNLGRSLLLLEQQGLIKLRPEVGLLATVRDIVENPK
NITIMELDAAQLPRSLDDVALSIINTTYASSINLTPEKDGVFVEDKESPY
VNLIVARQDNVQNENVQNFVKAYQTEEVYTAAKEIFK

Ligand information

Ligand ID

MET

InChI

InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

FFEARJCKVFRZRR-BYPYZUCNSA-N

SMILES

Software	SMILES
CACTVS 3.341	CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CSCCC(C(=O)O)N
CACTVS 3.341	CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CSCC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCSC

Formula

C5 H11 N O2 S

Name

METHIONINE

PDB chain

3k2d Chain A Residue 266 [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	3k2d Crystal structure of Toll-like receptor 2-activating lipoprotein IIpA from Vibrio vulnificus.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	F86 Q87 H88 Y91 R144 N227
Binding residue (residue number reindexed from 1)	F61 Q62 H63 Y66 R119 N202
Annotation score	4

External links

PDB	RCSB:3k2d, PDBe:3k2d, PDBj:3k2d
PDBsum	3k2d
PubMed	21287630

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