PDB ID : 5qij [A2]
Color
ARa IRb
|
|
a AR:All Residues
b IR:Interface Residues
b IR:Interface Residues
Slab plane
Title
CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3- A]PYRIDIN-8- YL)PROPAN-2-OL
Structure Summary
| PDB ID | Mutant | OPM | Pub Med | Method/Resolution | HETNAM |
|---|---|---|---|---|---|
| 5qij | 30613321 | X-RAY DIFFRACTION/2.65 | HJG:2-{3-[1-(4-CHLOROPHENYL)CYCLOPROPYL][1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL}PROPAN-2-OL NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE SO4:SULFATE ION |
| Chain Formula | ||
|---|---|---|
| Amino Acid sequence | SCOPe Family Level | CATH Homology Level |
| [A2] | [A2] | [A2] |
Interfaces
| Interface ID | Chain | Inaterface Class |
Interface Type | Contact Type |
|---|---|---|---|---|
| 5qij_AB | A B |
HN HN |
i7_CR(H35,N24)_HH(A1,S4)_HN(L3,S9) i7_CR(H35,N24)_HH(A1,S4)_HN(L3,S9) |
c4_RP(HH52,NN42,HN39,NH36,EN1)_HH(P2,A3,S6)_HN(L8,S9) c4_RP(HH52,NN42,HN39,NH36,EN1)_HH(P2,A3,S6)_HN(L8,S9) |
Interface Class
| Interface ID | Interface 1 | Interface 2 | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Domain | Number of contact residues | Binding site Class | Percentages of Secondary structures(%) | Domain | Number of contact residues | Binding site Class | Percentages of Secondary structures(%) | |||||
| H | E | N | H | E | N | |||||||
| 5qij_AB | A | 59 | HN | 52.5 | 100 | 47.5 | B | 58 | HN | 53.4 | 0 | 46.6 |
Interface Type: Information for each interface
| Interface ID | chain | Number of contact residues | Number of elements | Number of contacts between Secondary structure elements | |||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| HH | EE | HE | HN | EN | |||||||||||||||||||||
| Hn | En | Nn | H | E | N | R | L | P | A | S | P | A | S | Ph | Ah | Ih | P | A | S | L | S | L | S | ||
| 5qij_AB | A | 31 | 59 | 28 | 6 | 0 | 7 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 10 | 0 | 0 |
| 5qij_AB | B | 31 | 0 | 27 | 6 | 0 | 7 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 10 | 0 | 0 |
Contact Type: Information of contacts between interfaces
| Interface ID | Number of residue pairs between SS elements | Number of contacts between Secondary structure elements | ||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| H-H | E-E | N-N | H-E | H-N | N-E | E-H | N-H | E-N | H-H | E-E | H-E | H-N | E-N | |||||||||||||||
| P | A | S | Ih | P | A | S | IPh | IAh | P | A | S | Ih | L | S | Ih | L | S | Ih | ||||||||||
| 5qij_AB | 53 | 0 | 39 | 0 | 38 | 0 | 0 | 37 | 0 | 0 | 4 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9 | 5 | 0 | 0 | 0 | 0 |
Structual Classification
SCOPe
| SCOPe ID | Chain | Class | Fold | Superfamily | Family | Protein Domain | Species |
|---|---|---|---|---|---|---|---|
| 361537 | A: | Alpha and beta proteins (a/b) | NAD(P)-binding Rossmann-fold domains | NAD(P)-binding Rossmann-fold domains | Tyrosine-dependent oxidoreductases | 11-beta-hydroxysteroid dehydrogenase 1 | Mouse (Mus musculus) [TaxId: 10090] |
| 361523 | B: | Alpha and beta proteins (a/b) | NAD(P)-binding Rossmann-fold domains | NAD(P)-binding Rossmann-fold domains | Tyrosine-dependent oxidoreductases | 11-beta-hydroxysteroid dehydrogenase 1 | Mouse (Mus musculus) [TaxId: 10090] |
CATH
| CATH ID | Node | Class | Architecture | Topology | Homology |
|---|---|---|---|---|---|
| 5qijA00 | 3.40.50.720 | :3-Layer(aba) Sandwich | :Rossmann fold | :NAD(P)-binding Rossmann-like Domain | |
| 5qijB00 | 3.40.50.720 | :3-Layer(aba) Sandwich | :Rossmann fold | :NAD(P)-binding Rossmann-like Domain |
