MolNFT v1 · #163241 · protein

Export apparatus core and inner rod of the shigella type 3 secretion system

6RWY · Inner rod protein: “Export apparatus core and inner rod of the shigella type 3 secretion system”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #163241 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6RWY
Type: protein
Length: 3,160 residues
Chains: 33
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inner rod protein; Protein mxih; Surface presentation of antigens protein spap; Surface…
UniProt: P0A223, P0A1L3, P0A1M6, P0A1M4
Pockets: 20 · best druggability 0.88

Structure

electron microscopy · 9 distinct chains · 81% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, G, H, I, J, K	Inner rod protein	protein	59	88% helix, 0% strand	—
B, C, D, E, F	Inner rod protein	protein	73	90% helix, 0% strand	—
L, M, N, O, P, Q, R, S, T, U, V	Protein mxih	protein	73	90% helix, 0% strand	P0A223
a, b, c, d, e	Surface presentation of antigens protein spap	protein	208	74% helix, 0% strand	P0A1L3
f	Surface presentation of antigens protein spar	protein	240	72% helix, 0% strand	P0A1M6
g, h	Surface presentation of antigens protein spaq	protein	86	85% helix, 0% strand	P0A1M4
i	Surface presentation of antigens protein spaq	protein	75	89% helix, 0% strand	P0A1M4
j	Surface presentation of antigens protein spaq	protein	68	93% helix, 0% strand	P0A1M4
k	Surface presentation of antigens protein spaq	protein	43	84% helix, 0% strand	P0A1M4

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	625	0.88	0.93	94	empty
2	1139	0.86	0.87	151	empty
3	418	0.86	0.93	46	empty
4	397	0.86	0.93	49	empty
5	1054	0.85	0.86	98	empty

Interfaces

107 interfaces between chains.

e–f · 2290 Å² buried · 14 hydrogen bonds · protein-protein
a–b · 2201 Å² buried · 13 hydrogen bonds · protein-protein
c–d · 2116 Å² buried · 16 hydrogen bonds · protein-protein
b–c · 2030 Å² buried · 12 hydrogen bonds · protein-protein
a–f · 1995 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

6RWY · Export apparatus core and inner rod of the Shigella type 3 secretion system · the same entry in another collection · chain K against K, 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 P0A223
Every structure of UniProt P0A1L3
Every structure of UniProt P0A1M6
Every structure of UniProt P0A1M4
Elsewhere: RCSB PDB 6RWY · PDBe 6RWY · UniProt P0A223 · UniProt P0A1L3 · UniProt P0A1M6 · UniProt P0A1M4

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