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3LE8

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
Pantothenate synthetasepolymer30031500.12UniProt (P0A5R0)
Pfam (PF02569)
UniProt (by SIFTS) (P9WIL5)
Mycobacterium tuberculosisPS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme
2C, K
(A, B)
2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acidnon-polymer378.42Chemie (2B5)
3D, E, G, H, J
(A)
1,2-ETHANEDIOLnon-polymer62.15Chemie (EDO)
4F, L, M, N
(A, B)
GLYCEROLnon-polymer92.14Chemie (GOL)
5I
(A)
ETHANOLnon-polymer46.11Chemie (EOH)
6O, P
(A, B)
waterwater18.0583Chemie (HOH)
Sequence modifications
A, B: 1 - 300 (UniProt: P0A5R0)
PDBExternal DatabaseDetails
Ala 2Thr 2engineered mutation
Gly 77Glu 77engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight63000.2
Non-Polymers*Number of molecules12
Total formula weight1481.5
All*Total formula weight64481.7
*Water molecules are not included.

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PDB entries from 2025-07-02

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