Structure of PDB 3d9s Chain C Binding Site BS01

Receptor Information

>3d9s Chain C (length=243) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KEVCSVAFLKAVFAEFLATLIFVFFGLGSALKWPSALPTILQIALAFGLA
IGTLAQALGPVSGGHINPAITLALLVGNQISLLRAFFYVAAQLVGAIAGA
GILYGVAPLNARGNLAVNALNNNTTQGQAMVVELILTFQLALCIFASTDS
RRTSPVGSPALSIGLSVTLGHLVGIYFTGCSMNPARSFGPAVVMNRFSPA
HWVFWVGPIVGAVLAAILYFYLLFPNSLSLSERVAIIKGTYEP

Ligand information

Ligand ID

PS6

InChI

InChI=1S/C26H50NO10P/c1-3-5-7-8-9-10-11-12-13-14-16-17-24(28)34-19-22(37-25(29)18-15-6-4-2)20-35-38(32,33)36-21-23(27)26(30)31/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/t22-,23+/m0/s1

InChIKey

HXSPCZGHXODQMW-XZOQPEGZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC
CACTVS 3.341	CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](N)C(O)=O)OC(=O)CCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
CACTVS 3.341	CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC
ACDLabs 10.04	O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCCCC

Formula

C26 H50 N O10 P

Name

O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine

PDB chain

3d9s Chain D 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	3d9s High-resolution x-ray structure of human aquaporin 5
Resolution	2.0 Å
Binding residue (original residue number in PDB)	P157 V158 G159 S160
Binding residue (residue number reindexed from 1)	P155 V156 G157 S158
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0015250	water channel activity
GO:0015267	channel activity
GO:0042802	identical protein binding

	Biological Process
GO:0006833	water transport
GO:0015670	carbon dioxide transport
GO:0030157	pancreatic juice secretion
GO:0042476	odontogenesis
GO:0046541	saliva secretion
GO:0048593	camera-type eye morphogenesis
GO:0051289	protein homotetramerization
GO:0055085	transmembrane transport
GO:0071476	cellular hypotonic response

	Cellular Component
GO:0005783	endoplasmic reticulum
GO:0005886	plasma membrane
GO:0005902	microvillus
GO:0009925	basal plasma membrane
GO:0016020	membrane
GO:0016324	apical plasma membrane
GO:0030659	cytoplasmic vesicle membrane
GO:0031410	cytoplasmic vesicle
GO:0070062	extracellular exosome

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:3d9s, PDBe:3d9s, PDBj:3d9s
PDBsum	3d9s
PubMed	18768791
UniProt	P55064\|AQP5_HUMAN Aquaporin-5 (Gene Name=AQP5)

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