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PDBsum entry 3ms3
Go to PDB code:
Hydrolase
PDB id
3ms3
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Contents
Protein chain
316 a.a.
Ligands
ANL
IPA
GOL
×5
DMS
Metals
_ZN
_CA
×4
Waters
×235
PDB id:
3ms3
Links
PDBe
RCSB
MMDB
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Proteopedia
CATH
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PDBSWS
PDBePISA
ProSAT
Name:
Hydrolase
Title:
Crystal structure of thermolysin in complex with aniline
Structure:
Thermolysin. Chain: a. Synonym: thermostable neutral proteinase. Ec: 3.4.24.27
Source:
Bacillus thermoproteolyticus. Organism_taxid: 1427
Resolution:
1.54Å
R-factor:
0.141
R-free:
0.192
Authors:
J.Behnen,A.Heine,G.Klebe
Key ref:
J.Behnen et al. (2012). Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem
,
7
, 248-261.
PubMed id:
22213702
Date:
29-Apr-10
Release date:
11-May-11
PROCHECK
Headers
References
Protein chain
?
P00800
(THER_BACTH) - Thermolysin from Bacillus thermoproteolyticus
Seq:
Struc:
 
Seq:
Struc:
548 a.a.
316 a.a.
Key:
PfamA domain
Secondary structure
CATH domain
Enzyme reactions
Enzyme class:
E.C.3.4.24.27
- thermolysin.
[IntEnz]
[ExPASy]
[KEGG]
[BRENDA]
Reaction:
Preferential cleavage: Xaa-|-Leu > Xaa-|-Phe.
Cofactor:
Ca(2+); Zn(2+)
Chemmedchem
7
:248-261 (2012)
PubMed id:
22213702
Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
J.Behnen,
H.Köster,
G.Neudert,
T.Craan,
A.Heine,
G.Klebe.
ABSTRACT
No abstract given.
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