4U6Q: CtBP1

CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid. Determined by X-ray diffraction at 2.3 Å resolution. Released 11 Feb 2015.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,688
Mol. weight: 39.07 kDa
Ligands: NAI, 3CR, CA
Released: 11 Feb 2015

Explore 4U6Q in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4U6Q contains 19 α-helices and 19 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: 19 helices, 19 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	143-152	10
α-helix	159-165	7
β-strand	176-180	5	3
α-helix	184-194	11
α-helix	198	1
β-strand	199-203	5	3
α-helix	208	1
α-helix	211-214	4
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	249-253	5
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	298	1	5
β-strand	301	1	5
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

>4U6Q_1 C-terminal-binding protein 1 (chains A)
MGSSHHHHHHSSGLVPRGSHMPLVALLDGRDCTVEMPILKDVATVAFCDAQSTQEIHEKV
LNEAVGALMYHTITLTREDLEKFKALRIIVRIGSGFDNIDIKSAGDLGIAVCNVPAASVE
ETADSTLCHILNLYRRATWLHQALREGTRVQSVEQIREVASGAARIRGETLGIIGLGRVG
QAVALRAKAFGFNVLFYDPYLSDGVERALGLQRVSTLQDLLFHSDCVTLHCGLNEHNHHL
INDFTVKQMRQGAFLVNTARGGLVDEKALAQALKEGRIRGAALDVHESEPFSFSQGPLKD
APNLICTPHAAWYSEQASIEMREEAAREIRRAITGRIPDSLKNCVNK

Ligands and cofactors

ID	Name	Formula	Copies
NAI	1,4-dihydronicotinamide adenine dinucleotide	C21 H29 N7 O14 P2	1
3CR	(2E)-2-(hydroxyimino)-3-phenylpropanoic acid	C9 H9 N 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
4U6S 2.1 Å, CtBP1 in complex with substrate phenylpyruvate
9WRJ 2.2 Å, Crystal structure of CtBP1 in complex with PALI1
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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