7JOS: BbKI

Crystal structure of BbKI complexed with Human Kallikrein 4. Determined by X-ray diffraction at 2.1 Å resolution. Released 21 Jul 2021.

Method: X-ray diffraction
Resolution: 2.1 Å
Organisms: Homo sapiens, Bauhinia bauhinioides
Chains: 14
Atoms: 22,065
Mol. weight: 294.47 kDa
Released: 21 Jul 2021

Explore 7JOS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7JOS contains 104 α-helices and 266 β-strands across 14 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: 11 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	1
β-strand	20-21	2	2
α-helix	22-23	2
β-strand	30-35	6	3
β-strand	38-48	10	3
β-strand	51-54	4	3
α-helix	56-58	3
β-strand	63-67	5	3
β-strand	72	1	4
α-helix	74A-76	3
β-strand	81-90	10	3
β-strand	104-108	5	3
α-helix	122	1
β-strand	123	1	2
α-helix	124	1
α-helix	128-130	3
β-strand	135-140	6	2
α-helix	150-152	3
β-strand	154	1	4
β-strand	156-162	7	2
α-helix	165-172	8
β-strand	180-184	5	2
β-strand	189	1	1
β-strand	198-201	4	2
β-strand	208-215	8	2
α-helix	217	1
β-strand	225-230	6	2
α-helix	231-233	3
α-helix	235-243	9

Chains B, D, H, J, L and N: 4 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	5
β-strand	5	1	6
α-helix	10	1
β-strand	11	1	6
α-helix	12	1
β-strand	13	1	7
β-strand	19-23	5	8
β-strand	30-34	5	8
β-strand	44-48	5	8
β-strand	54	1	8
β-strand	57-60	4	8
β-strand	63	1	2
β-strand	67	1	7
β-strand	69	1	5
β-strand	74-78	5	8
β-strand	87-93	7	8
β-strand	97-103	7	8
β-strand	112-117	6	8
β-strand	120-125	6	8
α-helix	127-129	3
β-strand	134-141	8	8
β-strand	144-149	6	8
α-helix	154-156	3
β-strand	157-161	5	8

Chains C, G, I and K: 11 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	9
β-strand	20-21	2	10
α-helix	22-23	2
β-strand	30-35	6	11
β-strand	38-48	10	11
β-strand	51-54	4	11
α-helix	56-58	3
β-strand	63-67	5	11
β-strand	72	1	12
α-helix	74A-76	3
β-strand	81-90	10	11
β-strand	104-108	5	11
α-helix	122	1
β-strand	123	1	10
α-helix	124	1
α-helix	128-129	2
β-strand	135-140	6	10
α-helix	150-152	3
β-strand	154	1	12
β-strand	156-162	7	10
α-helix	165-172	8
β-strand	180-184	5	10
β-strand	189	1	9
β-strand	198-201	4	10
β-strand	208-215	8	10
α-helix	217	1
β-strand	225-230	6	10
α-helix	231-234	4
α-helix	235-243	9

Chain E: 11 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	17
β-strand	20-21	2	18
α-helix	22-23	2
β-strand	30-35	6	19
β-strand	38-48	10	19
β-strand	51-54	4	19
α-helix	56-58	3
β-strand	63-67	5	19
β-strand	72	1	20
α-helix	74A-76	3
β-strand	81-90	10	19
β-strand	104-108	5	19
α-helix	122	1
β-strand	123	1	18
α-helix	124	1
α-helix	128-129	2
β-strand	135-140	6	18
α-helix	150-152	3
β-strand	154	1	20
β-strand	156-162	7	18
α-helix	165-172	8
β-strand	180-184	5	18
β-strand	189	1	17
β-strand	198-201	4	18
β-strand	208-215	8	18
α-helix	217	1
β-strand	225-230	6	18
α-helix	231-233	3
α-helix	235-243	9

Chain F: 3 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	21
β-strand	5	1	22
α-helix	10	1
β-strand	11	1	22
α-helix	12	1
β-strand	13	1	23
β-strand	18-23	6	24
β-strand	30-34	5	24
β-strand	44-48	5	24
β-strand	54	1	24
β-strand	57-60	4	24
β-strand	63	1	18
β-strand	67	1	23
β-strand	69	1	21
β-strand	74-78	5	24
β-strand	87-93	7	24
β-strand	97-103	7	24
β-strand	112-117	6	24
β-strand	120-125	6	24
β-strand	134-141	8	24
β-strand	144-149	6	24
α-helix	154-156	3
β-strand	157-162	6	24

Chain M: 11 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	49
β-strand	20-21	2	50
α-helix	22-23	2
β-strand	30-35	6	51
β-strand	38-48	10	51
β-strand	51-54	4	51
α-helix	56-58	3
β-strand	63-67	5	51
β-strand	72	1	52
α-helix	74A-76	3
β-strand	81-90	10	51
β-strand	104-108	5	51
α-helix	122	1
β-strand	123	1	50
α-helix	124	1
α-helix	128-129	2
β-strand	135-140	6	50
α-helix	151-152	2
β-strand	154	1	52
β-strand	156-162	7	50
α-helix	165-172	8
β-strand	180-184	5	50
β-strand	189	1	49
β-strand	198-201	4	50
β-strand	208-215	8	50
α-helix	217	1
β-strand	225-230	6	50
α-helix	231-234	4
α-helix	235-243	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Kallikrein 4 (Prostase, enamel matrix, prostate), isoform CRA_a	A, C, E, G, I, K, M	protein	223	Homo sapiens	Q9Y5K2 (AlphaFold model)
Kunitz-type inihibitor	B, D, F, H, J, L, N	protein	166	Bauhinia bauhinioides	P83052 (AlphaFold model)

Sequence of entity 1 (A, C, E, G, I, K, M), FASTA

>7JOS_1 Kallikrein 4 (Prostase, enamel matrix, prostate), isoform CRA_a (chains A, C, E, G, I, K, M)
IINGEDCSPHSQPWQAALVMENELFCSGVLVHPQWVLSAAHCFQNSYTIGLGLHSLEADQ
EPGSQMVEASLSVRHPEYNRPLLANDLMLIKLDESVSESDTIRSISIASQCPTAGNSCLV
SGWGLLANGRMPTVLQCVNVSVVSEEVCSKLYDPLYHPSMFCAGGGQDQKDSCNGDSGGP
LICNGYLQGLVSFGKAPCGQVGVPGVYTNLCKFTEWIEKTVQA

Sequence of entity 2 (B, D, F, H, J, L, N), FASTA

>7JOS_2 Kunitz-type inihibitor (chains B, D, F, H, J, L, N)
GSSVVVDTNGQPVSNGADAYYLVPVSHGHAGLALAKIGNEAEPRAVVLDPHHRPGLPVRF
ESPLRINIIKESYFLNIKFGPSSSDSGVWDVIQQDPIGLAVKVTDTKSLLGPFKVEKEGE
GYKIVYYPERGQTGLDIGLVHRNDKYYLAVKDGEPCVFKIRKATDE

Primary citation

Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI. Li, M., Srp, J., Mares, M. et al. Acta Crystallogr D Biol Crystallogr (2021) 77:1084-1098. DOI 10.1107/S2059798321006483

Other PDB entries of the same protein (UniProt Q9Y5K2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4K8Y 1.0 Å, Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with…
4KEL 1.15 Å, Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a…
6O21 1.15 Å, Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor
4K1E 1.3 Å, Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a…
7JOD 1.33 Å, Crystal structure of BbKI complexed with Human Kallikrein 4
7JQK 1.33 Å, Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor…
7JQN 1.5 Å, Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor…
7JQO 1.6 Å, Crystal structure of the R64D mutant of Bauhinia Bauhinioides Kallikrein Inhibitor…
6NVB 1.64 Å, Crystal structure of the inhibitor-free form of the serine protease kallikrein-4
7JOW 1.91 Å, Crystal structure of BbKI complexed with Human Kallikrein 4
2BDG 1.95 Å, Human Kallikrein 4 complex with nickel and p-aminobenzamidine
6KBR 2.0 Å, Crystal structure of Human KLK4 and SPINK2 derived KLK4 inhibitor complex

Browse structure collections

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