Ligand clusters for UniProt code I6YFP0

Ligand clusters for I6YFP0: Possible bifunctional protein BirA: biotin operon repressor + biotin--[acetyl-CoA-carboxylase] synthetase (Biotin--protein ligase) OS=Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) OX=83332 GN=birA PE=1 SV=1

		4 ligand clusters Cluster 1. 11 ligand types 11 ligands Cluster 2. 1 ligand type 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand
Representative protein: 4xtuA

Structures

PDB		Schematic diagram
4xtuA
4xu2A
4xtwA
4xu0A
4xu3A
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
		1. Ligand: 44J × 1 N-({[(1r,2s,3r,4r)-4-(6-Amino-9h-Purin-9-Yl)-2,3- Dihydroxycyclopentyl]methyl}sulfamoyl)-5- [(3as,4s, 6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4- Yl]pentanamide PDB code: 4xtu(A).
		2. Ligand: 44K × 1 N-({[(1r,3s)-3-(6-Amino-9h-Purin-9-Yl) cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2- Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanamide PDB code: 4xtv(A).
		3. Ligand: 44L × 1 2',5'-Dideoxy-2'-Fluoro-5'-[({5-[(3as,4s,6ar)-2- Oxohexahydro-1h-Thieno[3,4-D]imidazol-4- Yl]pentanoyl}sulfamoyl)amino]adenosine PDB code: 4xty(A).
		4. Ligand: 44M × 1 2'-Azido-2',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2- Oxohexahydro-1h-Thieno[3,4-D]imidazol-4- Yl]pentanoyl}sulfamoyl)amino]adenosine PDB code: 4xtw(A).
		5. Ligand: 44N × 1 2'-C-Methyl-5'-O-({5-[(3as,4s,6ar)-2-Oxohexahydro-1h- Thieno[3,4-D]imidazol-4- Yl]pentanoyl}sulfamoyl) adenosine PDB code: 4xu0(A).
		6. Ligand: 44O × 1 [(2s,6r)-6-(6-Amino-9h-Purin-9-Yl)morpholin-2-Yl]methyl {5-[(3as,4s,6ar)-2-Oxohexahydro-1h- Thieno[3,4- D]imidazol-4-Yl]pentanoyl}sulfamate PDB code: 4xu1(A).
		7. Ligand: 44Q × 1 3',5'-Dideoxy-5'-[({5-[(3as,4s,6ar)-2-Oxohexahydro-1h- Thieno[3,4-D]imidazol-4- Yl]pentanoyl}sulfamoyl) amino]adenosine PDB code: 4xu2(A).
		8. Ligand: 44R × 1 N-({2-[(6-Amino-9h-Purin-9-Yl)methoxy]ethyl}sulfamoyl)- 5-[(3as,4s,6ar)-2-Oxohexahydro-1h- Thieno[3,4- D]imidazol-4-Yl]pentanamide PDB code: 4xu3(A).
		9. Ligand: 590 × 1 9-[2-Azido-2-Deoxy-5-O-({5-[(3as,4s,6ar)-2- Oxohexahydro-1h-Thieno[3,4-D]imidazol-4- Yl]pentanoyl}sulfamoyl)-Beta-D-Arabinofuranosyl]-9h- Purin-6-Amine PDB code: 4xtx(A).
		10. Ligand: 594 × 1 9-[2-Deoxy-2-Fluoro-5-O-({5-[(3as,4s,6ar)-2- Oxohexahydro-1h-Thieno[3,4-D]imidazol-4- Yl]pentanoyl}sulfamoyl)-Beta-D-Arabinofuranosyl]-9h- Purin-6-Amine PDB code: 4xtz(A).
		11. Ligand: BT5 × 1 Biotinyl-5-Amp PDB code: 4op0(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4xtw(A), 4xtx(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4xu1(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4xu1(A).