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Receptor Information

>8fw8 Chain B (length=196) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KTKEHLMLAALETFYRKGIARTSLNEIAQAAGVTRGALYWHFKNKEDLFD
ALFQRICDDIENCIAQDAGGSWTVFRHTLLHFFERLQSNDIHYKFHNILF
LKCEHTEQNAAVIAIARKHQAIWREKITAVLTEAVENQDLADDLDKETAV
IFIKSTLDGLIWRWFSSGESFDLGKTAPRIIGIMMDNLENHPCLRR

Ligand ID

STR

InChI

InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

RJKFOVLPORLFTN-LEKSSAKUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
ACDLabs 10.04	O=C4C=C2C(C1CCC3(C(C(=O)C)CCC3C1CC2)C)(C)CC4
CACTVS 3.341	CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C
CACTVS 3.341	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
OpenEye OEToolkits 1.5.0	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Formula

C21 H30 O2

Name

PROGESTERONE

PDB chain

8fw8 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8fw8 Structure of Neisseria gonorrhoeae transcriptional regulator, MtrR, bound to progesterone, at 2.31 Angstroms resolution
Resolution	2.31 Å
Binding residue (original residue number in PDB)	F95 F113 W136 I140 L170
Binding residue (residue number reindexed from 1)	F82 F100 W123 I127 L157
Annotation score	4

Enzyme Commision number

PDB	RCSB:8fw8, PDBe:8fw8, PDBj:8fw8
PDBsum	8fw8
PubMed	38326294
UniProt	P39897\|MTRR_NEIGO HTH-type transcriptional regulator MtrR (Gene Name=mtrR)

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Structure of PDB 8fw8 Chain B Binding Site BS01