Structure of IDP91652
2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis in complex with Inhibitor.
Edit deposit information
- CSGID target
- IDP91652
- PDB Id
- 5HM3 (NCBI MMDB)
- Authors
- G.Minasov,Z.Warwrzak,M.L.Kuhn,L.Shuvalova,K.J.Flores,D.J.Wilson,K.D.Grimes,C.C.Aldrich,W.A.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)
- Responsible person
- George Minasov
- Responsible lab
- Northwestern University
- Deposition Date
- Jan 15, 2016
- Release Date
- Aug 03, 2016
Annotation
Ligands
| Ligand code | Name | Ligand type |
|---|---|---|
| CME | modified residue | |
| 649 | 5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine | biological |
| CL | chloride | crystallization |
| PO4 | crystallization | |
| PEG | crystallization | |
| GOL | glycerol | crystallization |
| 175 | 3,5-dihydro-5-methylidene-4h-imidazol-4-on |
Structure information
Unit cell parameters
- Space Group
- P 21 21 21
- Unit Cell
-
a=62.78Å, b=74.56Å, c=127.76Å
α=90.00, β=90.00, γ=90.00 - Solvent content
- Matthews coefficient
- Resolution range
- 29.36-2.25Å (2.31-2.25Å)
- Rall(%)
- 18.8
- Rwork(%)
- 18.5 (25.5)
- Rfree(%)
- 23.9 (31.1)
- Num. observed reflections
- 29108 (2094)
- Num. Rfree reflections
- 1484 (95)
- Completeness(%)
- 99.8 (99.3)
- Num Atoms
- 4987
- Num Waters
- 131
- Num Hetatoms
- 256
- Model mean isotropic B factor
- 62.990Å2
- RMSD bond length
- 0.009Å
- RMSD bond angle
- 1.521°
- Filename uploaded
- D_1000217300_model-annotate_P1.pdb (uploaded on Jul 25, 2016 11:56 AM)
- Inserted
- Jul 25, 2016