Structure of PDB 5lto Chain A Binding Site BS01

Receptor Information

>5lto Chain A (length=237) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ASIREDLEDYLHEMGEITASNVQNWLSGRILLIENLAQTLARDHSPETTQ
ALLEQPLLGSTFLFTYLGQTDGTYTARPTSDLPADYDPRRRPWYNAATSA
GQTTLTEPYMEPAIHELVLTIASPARQGGQPFGVVGGDLSLQTVVKIINS
LDFGGMGYAFLVSGDGKILVHPDKDQVMKSLSDVYPRNTPKIGSGFSEAE
LHGNTRILSFSPVKGLSGLDWYIGISVDKDKAYAMLT

Ligand information

Ligand ID

GLN

InChI

InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

InChIKey

ZDXPYRJPNDTMRX-VKHMYHEASA-N

SMILES

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

Formula

C5 H10 N2 O3

Name

GLUTAMINE

PDB chain

5lto Chain A Residue 300 [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	5lto Purification, crystallization and preliminary crystallographic analysis of the ligand-binding regions of the PctA and PctB chemoreceptors from Pseudomonas aeruginosa in complex with amino acids.
Resolution	3.459 Å
Binding residue (original residue number in PDB)	F99 Y101 Y109 S115 L117 Y121 R126 W128 Y144 E146 D173
Binding residue (residue number reindexed from 1)	F64 Y66 Y74 S80 L82 Y86 R91 W93 Y109 E111 D138
Annotation score	4
Binding affinity	PDBbind-CN: -logKd/Ki=5.92,Kd=1.2uM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5lto, PDBe:5lto, PDBj:5lto
PDBsum	5lto
PubMed
UniProt	Q9HW91\|PCTB_PSEAE Methyl-accepting chemotaxis protein PctB (Gene Name=pctB)

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