Structure of PDB 4piv Chain B

Receptor sequence

>4pivB (length=610) Species: 9606 (Homo sapiens) [Search protein sequence]

QVPILEKFCFTPHTEEGCLSERAALQEELQLCKGLVQALQTPSQQELPRL
LSAACRLQAQVLAQERPKLPEDPLLSGLLDSPALKACLDTAVENMPSLKM
KVVEVLAGHGHLYSRIPGLLSPHPLLQLSYTATDRHPQALEAAQAELQQH
DVAQGQWDPADPAPSALGSADLLVCNCAVAALGDPASALSNMVAALREGG
FLLLHTLLRGHPLGDIVAFLTSGQGILSQDAWESLFSRVSLRLVGLKKSF
YGSTLFLCRRPTPQDSPIFLPVDDTSFRWVESLKGILADEDSARPVWLKA
INCATSGVVGLVNCLRREPGGNRLRCVLLSNLSSTSHVPEVDPGSAELQK
VLQGDLVMNVYRDGAWGAFRHFLLEEDSKTFCPAHKSYIIAGGLGGFGLE
LAQWLIQRGVQKLVLTSRSGIRTGYQAKQVRRWRRQGVQVQVSTSNISSL
EGARGLIAEAAQLGPVGGVFNLAVVLRDGLLENQTPEFFQDVCKPKYSGT
LNLDRVTREACPELDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEKRR
HEGLPGLAVQWGAIGDVGILVETDTIVSGTLPQRMASCLEVLDLFLNQPH
MVLSSFVLAE

3D structure

PDB

4piv A human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site.

Chain

Resolution

2.299 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

1.1.1.100: 3-oxoacyl-[acyl-carrier-protein] reductase.
1.3.1.39: enoyl-[acyl-carrier-protein] reductase (NADPH, Re-specific).
2.3.1.38: [acyl-carrier-protein] S-acetyltransferase.
2.3.1.39: [acyl-carrier-protein] S-malonyltransferase.
2.3.1.41: beta-ketoacyl-[acyl-carrier-protein] synthase I.
2.3.1.85: fatty-acid synthase system.
3.1.2.14: oleoyl-[acyl-carrier-protein] hydrolase.
4.2.1.59: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NDP	B	G1891 G1894 G1895 F1896 S1916 R1917 N1945 L1971 A1972 V1973 K1995 Y2034 W2060 G2061 I2063 G2067 I2068 L2069	G392 G395 G396 F397 S417 R418 N446 L472 A473 V474 K496 Y535 W561 G562 I564 G568 I569 L570
BS02	2W4	B	H1263 P1264 S2021 V2022 R2026 N2028 Y2034 V2080 S2081 T2083	H123 P124 S522 V523 R527 N529 Y535 V577 S578 T580	MOAD: ic50=7.7nM BindingDB: IC50=10nM

External links

PDB	RCSB:4piv, PDBe:4piv, PDBj:4piv
PDBsum	4piv
PubMed	25086508
UniProt	P49327\|FAS_HUMAN Fatty acid synthase (Gene Name=FASN)

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