5O72

17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006004	biological_process	fucose metabolic process
A	0006629	biological_process	lipid metabolic process
A	0008202	biological_process	steroid metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0042355	biological_process	L-fucose catabolic process
A	0042802	molecular_function	identical protein binding
A	0047834	molecular_function	D-threo-aldose 1-dehydrogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue NA A 301

Chain	Residue
A	GLU50
A	LEU53
A	ALA56
A	HOH512
A	HOH526
A	HOH553

---

site_id	AC2
Number of Residues	33
Details	binding site for residue NAD A 302

Chain	Residue
A	ILE21
A	ASP40
A	LYS41
A	ASP42
A	CYS61
A	ASP62
A	VAL63
A	ASN89
A	GLY91
A	LEU113
A	ILE139
A	SER140
A	SER141
A	TYR154
A	LYS158
A	PRO184
A	GLY185
A	ASN186
A	ILE187
A	THR189
A	PRO190
A	LEU191
A	TRP192
A	9MH303
A	HOH402
A	HOH441
A	HOH444
A	HOH452
A	HOH518
A	HOH527
A	GLY16
A	ARG19
A	GLY20

---

site_id	AC3
Number of Residues	14
Details	binding site for residue 9MH A 303

Chain	Residue
A	HIS93
A	SER141
A	VAL143
A	GLN148
A	GLN150
A	TYR154
A	PRO184
A	ASN186
A	TRP192
A	LEU195
A	MET199
A	TYR253
A	NAD302
A	HOH408

---

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. SlvgaigqaqAvpYVATKGAVtAMTkALA

Chain	Residue	Details
A	SER141-ALA169

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10001","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27362750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27933965","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29859505","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30836176","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5EN4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ICM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JSF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O42","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O43","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O72","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O7C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6EMM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6FFB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6G4L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6H0M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6HNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6QCK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZR6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZT2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27362750","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5O6O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6QCK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZT2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"5EN4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ICM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JSF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O42","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O43","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O72","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O7C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6EMM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6FFB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6G4L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6H0M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6HNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6QCK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZR6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZT2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27362750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27933965","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29859505","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30836176","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5EN4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ICM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O42","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O43","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O72","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6FFB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6H0M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6HNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6QCK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZT2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27362750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27933965","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29859505","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30836176","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5EN4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ICM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JSF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O42","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O43","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O72","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5O7C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6EMM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6FFB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6G4L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6GTU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6HNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6QCK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZDI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZR6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZRA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ZT2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---