Structure of PDB 3frl Chain A Binding Site BS01

Receptor Information

>3frl Chain A (length=231) Species: 44275 (Leptospira interrogans serovar Copenhageni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GGLPSLKSSFVLSEDTTVKTLLPYGSVINYYGYVKPGQAPDGLVDGNKKA
YYLYVWIPAVIAEMGVRMISPTGEIGEPGDGDLVSDAFKAATPEEKSMPH
WFDTWIRVERMSAIMPDQIAKAAKAKPVQKDDGDDTYKEERHNKYNSLTR
IKIPNPPKSFDDLKNIDTKKLLVRGLYRISFTTYKPGEVKGSFVASVGLL
FPPGIPGVSPLIHSNPEELQKQAIAAEESLK

Ligand information

Ligand ID

211

InChI

InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

InChIKey

GSEJCLTVZPLZKY-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CO)N(CCO)CCO
ACDLabs 10.04 CACTVS 3.341	OCCN(CCO)CCO

Formula

C6 H15 N O3

Name

2,2',2''-NITRILOTRIETHANOL

PDB chain

3frl Chain A Residue 1 [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	3frl Structure and calcium-binding activity of LipL32, the major surface antigen of pathogenic Leptospira sp.
Resolution	2.25 Å
Binding residue (original residue number in PDB)	K77 Y217 K218
Binding residue (residue number reindexed from 1)	K48 Y184 K185
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3frl, PDBe:3frl, PDBj:3frl
PDBsum	3frl
PubMed	19477185
UniProt	Q72SM7

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