MolNFT v1 · #188459 · protein

Bamabcde bound to substrate espp class 4

7TT1 · MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SERINE…: “Bamabcde bound to substrate espp class 4”. Electron microscopy, 20 pockets (best druggability 0.78). MolNFT v1 #188459 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7TT1
Type: protein
Length: 1,329 residues
Chains: 6
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SERINE protease espp chimera; Outer…
EC: 3.4.21.-
UniProt: Q7BSW5, C3TPJ2, A0A507WQ69, A0A3L5AP29, A0A1X3I1M6, W8SZY2
Pockets: 20 · best druggability 0.78

Structure

electron microscopy · 6 distinct chains · 20% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
P	MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SERINE protease espp chimera (EC 3.4.21.-)	protein	18	0% helix, 72% strand	Q7BSW5
A	Outer membrane protein assembly factor bama	protein	612	13% helix, 45% strand	C3TPJ2
B	Outer membrane protein assembly factor bamb	protein	349	1% helix, 48% strand	A0A507WQ69
E	Outer membrane protein assembly factor bame	protein	89	13% helix, 37% strand	A0A3L5AP29
D	Outer membrane protein assembly factor bamd	protein	213	77% helix, 0% strand	A0A1X3I1M6
C	Outer membrane protein assembly factor bamc	protein	48	15% helix, 0% strand	W8SZY2

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1158	0.78	0.80	103	empty
2	342	0.75	0.87	47	empty
3	78	0.73	0.97	28	empty
4	207	0.69	0.87	39	empty
5	255	0.66	0.83	48	empty

Interfaces

8 interfaces between chains.

D–C · 1818 Å² buried · 19 hydrogen bonds · protein-protein
A–D · 992 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 899 Å² buried · 18 hydrogen bonds · protein-protein
A–E · 891 Å² buried · 10 hydrogen bonds · protein-protein
E–D · 856 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

7TT1 · BamABCDE bound to substrate EspP class 4 · the same entry in another collection · chain A against A, TM-score 1.00
Q7BSW5 · AlphaFold monomer V2.0 prediction for serine protease espp (Q7BSW5) · a predicted model of the same protein · chain P against A, TM-score 0.34

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 Q7BSW5
Every structure of UniProt C3TPJ2
Every structure of UniProt A0A507WQ69
Every structure of UniProt A0A3L5AP29
Every structure of UniProt A0A1X3I1M6
Every structure of UniProt W8SZY2
Elsewhere: RCSB PDB 7TT1 · PDBe 7TT1 · UniProt Q7BSW5 · UniProt C3TPJ2 · UniProt A0A507WQ69 · UniProt A0A3L5AP29 · UniProt A0A1X3I1M6 · UniProt W8SZY2

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