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Structure of S70A blac from mycobacterium tuberculosis obtained from crystals produced in the presence of dtt

Analyse Structure of S70A blac from mycobacterium tuberculosis obtained from crystals… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6H2A
Type: protein
Length: 788 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase; Possible protein degradation product
EC: 3.5.2.6
UniProt: A0A0T9EA39
Ligands: TAM, PO4
Pockets: 7 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	266	45% helix, 17% strand	A0A0T9EA39
B	Beta-lactamase (EC 3.5.2.6)	protein	268	44% helix, 16% strand	A0A0T9EA39
C	Beta-lactamase (EC 3.5.2.6)	protein	248	47% helix, 16% strand	A0A0T9EA39
H	Possible protein degradation product	protein	6	0% helix, 0% strand	—

Ligands and binding sites

TAM · Tris(hydroxyethyl)aminomethane · ligand · 2 copies · chains A
PO4 · Phosphate ion · ion · 6 copies · chains A, B, C
DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 4 copies · chains A, B, C
GOL · Glycerol · additive · 4 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	438	0.71	0.82	53	empty
2	122	0.48	0.80	25	GOL
3	116	0.41	0.76	22	empty
4	130	0.40	0.75	21	TAM, PO4
5	115	0.38	0.75	19	DTT

Interfaces

4 interfaces between chains.

A–C · 619 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 598 Å² buried · 9 hydrogen bonds · protein-protein
A–H · 272 Å² buried · 5 hydrogen bonds · protein-protein
C–H · 134 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6H2A · Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A0A0T9EA39
Elsewhere: RCSB PDB 6H2A · PDBe 6H2A · UniProt A0A0T9EA39

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