Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 4-androstadiene-3,17- dione
Hu, Y.L., Li, X., Cheng, X.Y., Song, S.K., Su, Z.D.To be published.
Experimental Data Snapshot
Starting Model: experimental
View more details
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
3-ketosteroid dehydrogenase | A [auth AAA] | 521 | Rhodococcus erythropolis | Mutation(s): 0  Gene Names: kstD1, BS297_24040, rerp_49010, RERY_47440 EC: 1.3.99.4 | |
UniProt | |||||
Find proteins for Q9RA02 (Rhodococcus erythropolis) Explore Q9RA02  Go to UniProtKB:  Q9RA02 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9RA02 | ||||
Sequence AnnotationsExpand | |||||
|
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
FAD (Subject of Investigation/LOI) Query on FAD | B [auth AAA] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N | |||
ASD (Subject of Investigation/LOI) Query on ASD | C [auth AAA] | 4-ANDROSTENE-3-17-DIONE C19 H26 O2 AEMFNILZOJDQLW-QAGGRKNESA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 120.108 | α = 90 |
b = 120.108 | β = 90 |
c = 117.242 | γ = 120 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
HKL-2000 | data scaling |
HKL-2000 | data reduction |
PHASER | phasing |
Funding Organization | Location | Grant Number |
---|---|---|
Not funded | -- |