Structure of PDB 4yyz Chain B

Receptor sequence

>4yyzB (length=258) Species: 9606 (Homo sapiens) [Search protein sequence]

EFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVV
SHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTS
LNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKV
AYPLVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMK
AVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSRWTTLLIRNPSRKI
LEELYSTS

3D structure

PDB

4yyz Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential.

Chain

Resolution

3.2 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	S170 Y183 K187
Catalytic site (residue number reindexed from 1)	S145 Y158 K162
Enzyme Commision number	1.1.1.146: 11beta-hydroxysteroid dehydrogenase. 1.1.1.201: 7beta-hydroxysteroid dehydrogenase (NADP(+)).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAP	B	G41 S43 K44 G45 I46 A65 R66 S67 T92 M93 N119 H120 I121 V168 S170 Y183 K187 L215 G216 L217 I218 T220 T222 A223	G16 S18 K19 G20 I21 A40 R41 S42 T67 M68 N94 H95 I96 V143 S145 Y158 K162 L190 G191 L192 I193 T195 T197 A198
BS02	4JX	B	T124 S170 Y183 G216 L217 A223 A226	T99 S145 Y158 G191 L192 A198 A201

Gene Ontology

	Molecular Function
GO:0016491	oxidoreductase activity

View graph for
Molecular Function

External links

PDB	RCSB:4yyz, PDBe:4yyz, PDBj:4yyz
PDBsum	4yyz
PubMed
UniProt	P28845\|DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (Gene Name=HSD11B1)

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