2IKO: Human Renin

Crystal Structure of Human Renin Complexed with Inhibitor. Determined by X-ray diffraction at 1.9 Å resolution. Released 14 Nov 2006.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,640
Mol. weight: 74.89 kDa
Ligands: 7IG
Released: 14 Nov 2006

Explore 2IKO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2IKO contains 30 α-helices and 68 β-strands across 2 chains. 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: 16 helices, 34 β-strands

Element	Residues	Length	Sheet
β-strand	1	1	1
β-strand	3-7	5	2
β-strand	8-10	3	3
β-strand	14-16	3	3
β-strand	17-21	5	4
β-strand	26-33	8	4
β-strand	39-42	4	4
β-strand	43	1	5
α-helix	51-54	4
β-strand	59	1	5
α-helix	61-63	3
β-strand	68-78	11	4
β-strand	81-94	14	4
β-strand	97-108	12	4
α-helix	111-114	4
β-strand	121-124	4	4
α-helix	128-130	3
α-helix	132-134	3
α-helix	135-137	3
α-helix	138-143	6
β-strand	148	1	1
β-strand	152-157	6	2
α-helix	158-160	3
β-strand	169-173	5	2
α-helix	178-180	3
β-strand	181-189	9	2
β-strand	190	1	6
β-strand	197-200	4	6
β-strand	202-205	4	7
β-strand	211	1	7
β-strand	216-220	5	6
β-strand	227-229	3	6
α-helix	231-241	11
α-helix	243	1
β-strand	244-245	2	8
β-strand	250-253	4	8
α-helix	254-259	6
α-helix	260-262	3
β-strand	263-267	5	7
β-strand	270-274	5	7
α-helix	276-279	4
β-strand	280	1	9
β-strand	290-292	3	8
β-strand	293	1	9
β-strand	295-297	3	6
α-helix	300-301	2
β-strand	308-310	3	6
α-helix	312-315	4
β-strand	318-323	6	2
β-strand	328-334	7	2

Chain B: 14 helices, 34 β-strands

Element	Residues	Length	Sheet
β-strand	1	1	10
β-strand	3-7	5	11
β-strand	8-10	3	12
β-strand	14-16	3	12
β-strand	17-21	5	13
β-strand	26-33	8	13
β-strand	39-42	4	13
β-strand	43	1	14
α-helix	51-53	3
β-strand	59	1	14
α-helix	61-63	3
β-strand	68-75	8	13
β-strand	84-94	11	13
β-strand	97-108	12	13
β-strand	121-124	4	13
α-helix	128-130	3
α-helix	132-134	3
α-helix	135-137	3
α-helix	138-143	6
β-strand	148	1	10
β-strand	152-157	6	11
α-helix	158-160	3
β-strand	169-173	5	11
α-helix	178-180	3
β-strand	182-189	8	11
β-strand	190	1	15
β-strand	197-200	4	15
β-strand	202-205	4	16
β-strand	211	1	16
β-strand	216-220	5	15
β-strand	227-229	3	15
α-helix	231-241	11
β-strand	244-245	2	17
β-strand	250-253	4	17
α-helix	254-259	6
α-helix	261-262	2
β-strand	263-267	5	16
β-strand	270-274	5	16
α-helix	276-279	4
β-strand	280	1	18
β-strand	290-292	3	17
β-strand	293	1	18
β-strand	295-297	3	15
α-helix	300-301	2
β-strand	308-310	3	15
α-helix	312-317	6
β-strand	318-323	6	11
β-strand	328-333	6	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Renin	A, B	protein	340	Homo sapiens	P00797 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2IKO_1 Renin (chains A, B)
LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVY
HKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFM
LAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGG
SDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIE
KLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAI
HAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR

Ligands and cofactors

ID	Name	Formula	Copies
7IG	5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine	C19 H19 F2 N5	1

Primary citation

Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Sarver, R.W., Peevers, J., Cody, W.L. et al. Anal Biochem (2007) 360:30-40. DOI 10.1016/j.ab.2006.10.017 · PubMed

Other PDB entries of the same protein (UniProt P00797 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3K1W 1.5 Å, New Classes of Potent and Bioavailable Human Renin Inhibitors
1HRN 1.8 Å, High resolution crystal structures of recombinant human renin in complex with…
2G24 1.9 Å, Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
3G72 1.9 Å, Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
3KM4 1.9 Å, Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors
3G6Z 2.0 Å, Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
3G70 2.0 Å, Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
3GW5 2.0 Å, Crystal structure of human renin complexed with a novel inhibitor
3OWN 2.0 Å, Potent macrocyclic renin inhibitors
4Q1N 2.09 Å, Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors
2G26 2.1 Å, Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
3SFC 2.1 Å, Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin…

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