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4OPZ

Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation in complex with boron-based inhibitor EC25

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1ATEM-94 ES-beta-lactamasepolymer26328800.81UniProt (Q8KMX3)
Pfam (PF00144)
Pfam (PF13354)
In PDB
Escherichia coli
2A3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acidnon-polymer342.21Chemie (2UL)
3ACALCIUM IONnon-polymer40.11Chemie (CA)
4AACETATE IONnon-polymer59.01Chemie (ACT)
5A1,2-ETHANEDIOLnon-polymer62.11Chemie (EDO)
6waterwater18.0379Chemie (HOH)
Sequence modifications
A: 25 - 287 (UniProt: Q8KMX3)
PDBExternal DatabaseDetails
Gly 41Ala 40engineered mutation
Ala 51Asn 50engineered mutation
Glu 103Lys 102engineered mutation
Gly 119Arg 118engineered mutation
Val 183Ala 182engineered mutation
Ala 200Leu 199engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight28800.8
Non-Polymers*Number of molecules4
Total formula weight503.3
All*Total formula weight29304.2
*Water molecules are not included.

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PDB entries from 2024-06-12

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