Structure of PDB 2c4i Chain A Binding Site BS01

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 1274 [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)	W15 F17 S20 T22 W42 N63 S95 Y112 T114 V116 A118
Binding residue (residue number reindexed from 1)	W11 F13 S16 T18 W38 N59 S78 Y95 T97 V99 A101
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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