Structure of PDB 6br8 Chain A Binding Site BS01

Receptor Information

>6br8 Chain A (length=249) Species: 928301 (Fowlpox virus strain NVSL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKKDTNEIVQDLKKILGIVSLIKSANNEHQAYKILMENNSFIIRTINKVL
ADSNYIIKIIALFNTDVVSDKIKLEEYKDVFSFSKENVIFGIKCFCDITI
DGIDQINNKYVSFFKKVLPNIILFQTSCVKTTQFVNIFSKLSSIVYSEIL
TNERLHVLFSEIMASFKTKVSVEDLKKRKVNNIQGLISEISNNREMYKNI
FVEEYEKHKTTLISIVQCITDNYNINYKENAVDIEFIFDFIQEHYISKL

Ligand information

Ligand ID

6OU

InChI

InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1

InChIKey

FHQVHHIBKUMWTI-OTMQOFQLSA-N

SMILES

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC

Formula

C39 H76 N O8 P

Name

[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate

PDB chain

6br8 Chain A Residue 401 [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	6br8 Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	I223 I344 T345 Y352 F361 I362 F365
Binding residue (residue number reindexed from 1)	I98 I219 T220 Y227 F236 I237 F240
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6br8, PDBe:6br8, PDBj:6br8
PDBsum	6br8
PubMed	29915071
UniProt	Q9J563\|A6_FOWPN Protein A6 homolog (Gene Name=FPV170)

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