Structure of PDB 8axc Chain A Binding Site BS01

Receptor Information

>8axc Chain A (length=516) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SPEANPIRNTHTGQIQGSLIHVKDTKAGVHTFLGIPFAKPPVGPLRFAPP
EAPEPWSGVRDGTAHPAMCLQNLDMLNEAMMLSSFPMSEDCLYLNIYTPA
HAHEGSNLPVMVWIHGGALVIGMASMFDGSLLTVNEDLVVVTIQYRLGVL
GFFSTGDQHARGNWGYLDQAAALRWVQQNIAHFGGNPDRVTIFGESAGGT
SVSSHVVSPMSQGLFHGAIMESGVALLPDLISETSEMVSTTVAKLSGCEA
MDSQALVRCLRGKSEAEILAINKVFKMIPAVVDGEFFPRHPKELLASEDF
HPVPSIIGVNNDEFGWSIPVVMGSAQMIKGITRENLQAVLKDTAVQMMLP
PECSDLLMEEYMGDTEDAQTLQIQFTEMMGDFMFVIPALQVAHFQRSHAP
VYFYEFQHPPSYFKDVRPPHVKADHADEIPFVFASFFWGMKLDFTEEEEL
LSRRMMKYWANFARHGNPNSEGLPYWPVMDHDEQYLQLDIQPAVGRALKA
GRLQFWTKTLPQKIQE

Ligand information

Ligand ID

NCA

InChI

InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

InChIKey

DFPAKSUCGFBDDF-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(cnc1)C(=O)N
CACTVS 3.341	NC(=O)c1cccnc1
ACDLabs 10.04	O=C(N)c1cccnc1

Formula

C6 H6 N2 O

Name

NICOTINAMIDE

PDB chain

8axc Chain A Residue 602 [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	8axc The Crystal Structure of Mouse Ces2c, a Potential Ortholog of Human CES2, Shows Structural Similarities in Substrate Regulation and Product Release to Human CES1.
Resolution	2.12 Å
Binding residue (original residue number in PDB)	G151 A152 S230 A231
Binding residue (residue number reindexed from 1)	G117 A118 S196 A197
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.1.-
3.1.1.28: acylcarnitine hydrolase.

External links

PDB	RCSB:8axc, PDBe:8axc, PDBj:8axc
PDBsum	8axc
PubMed	36361897
UniProt	Q91WG0\|EST2C_MOUSE Acylcarnitine hydrolase (Gene Name=Ces2c)

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