Structure of PDB 2c4i Chain A Binding Site BS02

Receptor Information

>2c4i Chain A (length=242) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSSVNDIGDD
WKATRVGINIFTRLKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVT
ATSNEIKESPLHGTQNTIGSTTVFTGQCFIDRNGKEVLKTMWLLRSSVND
IGDDWKATRVGINIFTRLSARKCSLTGKWTNDLGSNMTIGAVNSRGEFTG
TYITAVTATSNEIKESPLHGTQNTINKRTQPTFGFTVNWKFS

Ligand information

Ligand ID

BTN

InChI

InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1

InChIKey

YBJHBAHKTGYVGT-ZKWXMUAHSA-N

SMILES

Software	SMILES
CACTVS 3.385	OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
CACTVS 3.385	OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
ACDLabs 12.01	O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.7.6	C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.7.6	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2

Formula

C10 H16 N2 O3 S

Name

BIOTIN

PDB chain

2c4i Chain A Residue 1275 [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	2c4i Controlling Quaternary Structure Assembly: Subunit Interface Engineering and Crystal Structure of Dual Chain Avidin.
Resolution	1.95 Å
Binding residue (original residue number in PDB)	S141 T143 W163 N184 L214 S216 Y233 T235 V237 A239 W270
Binding residue (residue number reindexed from 1)	S120 T122 W142 N163 L183 S185 Y202 T204 V206 A208 W239
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0009374	biotin binding

View graph for
Molecular Function

External links

PDB	RCSB:2c4i, PDBe:2c4i, PDBj:2c4i
PDBsum	2c4i
PubMed	16787776
UniProt	P02701\|AVID_CHICK Avidin (Gene Name=AVD)

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