3OUI: PHD2-R717 with 40787422

PHD2-R717 with 40787422. Determined by X-ray diffraction at 1.7 Å resolution. Released 1 Dec 2010.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,688
Mol. weight: 24.72 kDa
Ligands: FE2, 42Z
Released: 1 Dec 2010

Explore 3OUI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3OUI contains 7 α-helices and 16 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: 7 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	190-192	3
α-helix	193-198	6
α-helix	199-205	7
β-strand	207-210	4	1
α-helix	216-231	16
β-strand	236-237	2	1
β-strand	252	1	2
β-strand	255-259	5	1
α-helix	267-284	18
β-strand	294-295	2	1
α-helix	296-297	2
β-strand	298-304	7	1
β-strand	308-313	6	2
β-strand	323-329	7	1
β-strand	331	1	3
α-helix	336-339	4
β-strand	340	1	2
β-strand	343-345	3	2
β-strand	354-356	3	2
β-strand	359	1	3
β-strand	363-367	5	1
β-strand	374-379	6	2
β-strand	382-391	10	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Egl nine homolog 1	A	protein	213	Homo sapiens	Q9GZT9 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3OUI_1 Egl nine homolog 1 (chains A)
SPNGQTKPLPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGKFTDGQ
LVSQKSDSSKDIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGKLGSYKINGRTKAM
VACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGILRIFPEGKAQFADIEPK
FDRLLFFWSDRRNPHEVQPAYATRYAITVWYFD

Ligands and cofactors

ID	Name	Formula	Copies
FE2	FE (II) ion	Fe	1
42Z	N-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonyl]glycine	C10 H7 Cl2 N3 O3	2

Water and common crystallization additives (ACT, PEG) are not listed.

Primary citation

Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. Rosen, M.D., Venkatesan, H., Peltier, H.M. et al. ACS Med Chem Lett (2010) 1:526-529. DOI 10.1021/ml100198y · PubMed

Other PDB entries of the same protein (UniProt Q9GZT9 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7Q5V 1.17 Å, Hif prolyl hydroxylase 2 (PHD2/EGLN1) in complex with N-oxalylglycine (NOG) and hif-2…
7Q5X 1.21 Å, Hif prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 2-oxoglutarate (2OG) and hif-2…
8Q64 1.36 Å, Crystal structure of hydroxylated HIF2alpha-CODD peptide (523-542) bound to apo-HIF…
8Q6E 1.37 Å, Aerobic crystal structure of HIF prolyl hydroxylase 2 (PHD2 181-407) in complex with…
8RV1 1.39 Å, HIF prolyl hydroxylase 2 (PHD2) T387S variant bound to acetate (ACT) and hydroxylated…
6QGV 1.4 Å, HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor…
8Q6D 1.4 Å, Anaerobic crystal structure of HIF prolyl hydroxylase 2 (PHD2 181-407) in complex with…
6YW1 1.46 Å, HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent…
8Q5S 1.49 Å, Anaerobic crystal structure of apo-HIF prolyl hydroxylase 2 (PHD2 181-407)in complex…
6YW4 1.53 Å, HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG) and a…
4BQY 1.53 Å, HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and…
6NMQ 1.58 Å, Hypoxia-Inducible Factor (HIF) Prolyl Hydroxylase 2 (PHD2) in Complex with the…

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