4U6S: CtBP1

CtBP1 in complex with substrate phenylpyruvate. Determined by X-ray diffraction at 2.1 Å resolution. Released 11 Feb 2015.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,774
Mol. weight: 39.05 kDa
Ligands: NAD, PPY, CA
Released: 11 Feb 2015

Explore 4U6S in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4U6S contains 18 α-helices and 17 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 18 helices, 17 β-strands

Element	Residues	Length	Sheet
β-strand	29-32	4	1
α-helix	42-45	4
β-strand	50-53	4	1
α-helix	59-61	3
α-helix	64-69	6
β-strand	70-75	6	1
β-strand	81	1	2
α-helix	83-87	5
β-strand	94-97	4	1
β-strand	105	1	2
α-helix	107-112	6
β-strand	116-118	3	1
α-helix	125-141	17
α-helix	143-151	9
α-helix	159-165	7
β-strand	176-180	5	3
α-helix	184-194	11
β-strand	199-203	5	3
α-helix	208	1
α-helix	211-215	5
β-strand	218-219	2	3
α-helix	223-229	7
β-strand	232-235	4	3
α-helix	237-239	3
β-strand	247	1	4
α-helix	249-252	4
α-helix	256	1
β-strand	259-263	5	3
α-helix	267-269	3
β-strand	270	1	4
α-helix	272-281	10
β-strand	284-289	6	3
β-strand	310-312	3	3
α-helix	321-340	20
β-strand	350	1	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
C-terminal-binding protein 1	A	protein	347	Homo sapiens	Q13363 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4U6S_1 C-terminal-binding protein 1 (chains A)
MGSSHHHHHHSSGLVPRGSHMPLVALLDGRDCTVEMPILKDVATVAFCDAQSTQEIHEKV
LNEAVGALMYHTITLTREDLEKFKALRIIVRIGSGFDNIDIKSAGDLGIAVCNVPAASVE
ETADSTLCHILNLYRRATWLHQALREGTRVQSVEQIREVASGAARIRGETLGIIGLGRVG
QAVALRAKAFGFNVLFYDPYLSDGVERALGLQRVSTLQDLLFHSDCVTLHCGLNEHNHHL
INDFTVKQMRQGAFLVNTARGGLVDEKALAQALKEGRIRGAALDVHESEPFSFSQGPLKD
APNLICTPHAAWYSEQASIEMREEAAREIRRAITGRIPDSLKNCVNK

Ligands and cofactors

ID	Name	Formula	Copies
NAD	Nicotinamide-adenine-dinucleotide	C21 H27 N7 O14 P2	1
PPY	3-phenylpyruvic acid	C9 H8 O3	1
CA	Calcium ion	Ca	1

Water and common crystallization additives (FMT) are not listed.

Primary citation

Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Hilbert, B.J., Morris, B.L., Ellis, K.C. et al. ACS Chem Biol (2015) 10:1118-1127. DOI 10.1021/cb500820b · PubMed

Other PDB entries of the same protein (UniProt Q13363 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1MX3 1.95 Å, Crystal structure of CtBP dehydrogenase core holo form
9WRJ 2.2 Å, Crystal structure of CtBP1 in complex with PALI1
4U6Q 2.3 Å, CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
7KWM 2.3 Å, CtBP1 (28-375) L182F/V185T - AMP
6V8A 2.35 Å, Human CtBP1 (28-375) in complex with AMP
4LCE 2.38 Å, CtBP1 in complex with substrate MTOB
6CDR 2.4 Å, Human CtBP1 (28-378)
6V89 2.45 Å, Human CtBP1 (28-375) in complex with AMP
6CDF 2.6 Å, Human CtBP1 (28-378)
8ARI 3.0 Å, Cryo-EM structure of human CtBP1/RAI2(303-362) delta(331-341) filament

Browse structure collections

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