Structure of PDB 7x36 Chain D Binding Site BS01

Receptor Information

>7x36 Chain D (length=339) Species: 5079 (Penicillium janthinellum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TGSVPLPERLLHHWPNGTWVENIAVRPNGNLLLTTSTPNGTVWHVKKPWT
DTPEVELAYNFDEWVDRLIGIGETTPDKYIVVGSRFYSPDAYSSHVDRTF
AAMELDFTKEPPSTRMVAWMPEAELLQGVAALPWDRSIVLISDQYVLRPR
YKQVDWTPSPGQIWRLDTKTGDYELVMTDYAEMNTTYAHGPDVGINGIRI
LGNELYWVNQDNGGVYRVEIQKNGHPVPPAVPEVVSVVESQLWDDFAFGP
GDEDLLWVTGLNAVYAVSKKNGTAVVVDGVGTSNNMSFPGPTSCQFGRTK
HDSNVLYVTGNLYSVPDSLLDVKIGGWVRAIDTTGFHLH

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7x36 Chain D 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	7x36 Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction
Resolution	1.92 Å
Binding residue (original residue number in PDB)	E50 Q156 N225 D273
Binding residue (residue number reindexed from 1)	E21 Q127 N196 D244
Annotation score	4

External links

PDB	RCSB:7x36, PDBe:7x36, PDBj:7x36
PDBsum	7x36
PubMed

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