› 6dwu

X-ray diffraction
3.96Å resolution

Crystal structure of complex of BBKI and Bovine Trypsin

Released:
DOI: 10.2210/pdb6dwu/pdb
PDB entry 6dwu coloured by chain, front view.
PDB entry 6dwu coloured by chain, side view.
PDB entry 6dwu coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Li M, Srp J, Gustchina A, Dauter Z, Mares M, Wlodawer A
Acta Crystallogr D Struct Biol 75 56-69 (2019)
PMID: 30644845

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133356 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease 1 Chains: AA, AC, AE, AG, AI, AK, AM, AO, AQ, AS, AU, BA, BC, BE, BG, BI, BK, BM, BO, BQ, BS, BU, CA, CC, CE, CG, CI, CK, CM, CO, CQ, CS, CU, DA, DC, DE, DG, DI, DK, DM, DO, DQ, DS, DU
Molecule details ›
Chains: AA, AC, AE, AG, AI, AK, AM, AO, AQ, AS, AU, BA, BC, BE, BG, BI, BK, BM, BO, BQ, BS, BU, CA, CC, CE, CG, CI, CK, CM, CO, CQ, CS, CU, DA, DC, DE, DG, DI, DK, DM, DO, DQ, DS, DU
Length: 223 amino acids
Theoretical weight: 23.32 KDa
Source organism: Bos taurus
Expression system: Bos taurus
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Kunitz-type inihibitor Chains: AB, AD, AF, AH, AJ, AL, AN, AP, AR, AT, AV, BB, BD, BF, BH, BJ, BL, BN, BP, BR, BT, BV, CB, CD, CF, CH, CJ, CL, CN, CP, CR, CT, CV, DB, DD, DF, DH, DJ, DL, DN, DP, DR, DT, DV
Molecule details ›
Chains: AB, AD, AF, AH, AJ, AL, AN, AP, AR, AT, AV, BB, BD, BF, BH, BJ, BL, BN, BP, BR, BT, BV, CB, CD, CF, CH, CJ, CL, CN, CP, CR, CT, CV, DB, DD, DF, DH, DJ, DL, DN, DP, DR, DT, DV
Length: 163 amino acids
Theoretical weight: 17.84 KDa
Source organism: Bauhinia bauhinioides
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6VEQ7 (Residues: 19-181; Coverage: 93%)
Sequence domains: Trypsin and protease inhibitor

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 137.167Å b: 483.88Å c: 137.01Å
α: 90° β: 116.76° γ: 90°
R-values:
R R work R free
0.229 0.226 0.282
Expression systems:
  • Bos taurus
  • Escherichia coli

Quick links

Citations

1 review citation

Plant Kunitz Inhibitors and Their Interaction with Proteases: Current and Potential Pharmacological Targets.
Bonturi et al. (2022)
2 other articles

1 mention without citation

Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Li et al. (2019)