2WGG
Crystal Structure of Mycobacterium tuberculosis C171Q KasA variant with bound TLM
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0005886 | cellular_component | plasma membrane |
A | 0006633 | biological_process | fatty acid biosynthetic process |
A | 0009274 | cellular_component | peptidoglycan-based cell wall |
A | 0016746 | molecular_function | acyltransferase activity |
A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
A | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
A | 0030497 | biological_process | fatty acid elongation |
A | 0042802 | molecular_function | identical protein binding |
B | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
B | 0005515 | molecular_function | protein binding |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0005886 | cellular_component | plasma membrane |
B | 0006633 | biological_process | fatty acid biosynthetic process |
B | 0009274 | cellular_component | peptidoglycan-based cell wall |
B | 0016746 | molecular_function | acyltransferase activity |
B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
B | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
B | 0030497 | biological_process | fatty acid elongation |
B | 0042802 | molecular_function | identical protein binding |
C | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
C | 0005515 | molecular_function | protein binding |
C | 0005737 | cellular_component | cytoplasm |
C | 0005829 | cellular_component | cytosol |
C | 0005886 | cellular_component | plasma membrane |
C | 0006633 | biological_process | fatty acid biosynthetic process |
C | 0009274 | cellular_component | peptidoglycan-based cell wall |
C | 0016746 | molecular_function | acyltransferase activity |
C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
C | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
C | 0030497 | biological_process | fatty acid elongation |
C | 0042802 | molecular_function | identical protein binding |
D | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
D | 0005515 | molecular_function | protein binding |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0005886 | cellular_component | plasma membrane |
D | 0006633 | biological_process | fatty acid biosynthetic process |
D | 0009274 | cellular_component | peptidoglycan-based cell wall |
D | 0016746 | molecular_function | acyltransferase activity |
D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
D | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
D | 0030497 | biological_process | fatty acid elongation |
D | 0042802 | molecular_function | identical protein binding |
E | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
E | 0005515 | molecular_function | protein binding |
E | 0005737 | cellular_component | cytoplasm |
E | 0005829 | cellular_component | cytosol |
E | 0005886 | cellular_component | plasma membrane |
E | 0006633 | biological_process | fatty acid biosynthetic process |
E | 0009274 | cellular_component | peptidoglycan-based cell wall |
E | 0016746 | molecular_function | acyltransferase activity |
E | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
E | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
E | 0030497 | biological_process | fatty acid elongation |
E | 0042802 | molecular_function | identical protein binding |
F | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
F | 0005515 | molecular_function | protein binding |
F | 0005737 | cellular_component | cytoplasm |
F | 0005829 | cellular_component | cytosol |
F | 0005886 | cellular_component | plasma membrane |
F | 0006633 | biological_process | fatty acid biosynthetic process |
F | 0009274 | cellular_component | peptidoglycan-based cell wall |
F | 0016746 | molecular_function | acyltransferase activity |
F | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
F | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
F | 0030497 | biological_process | fatty acid elongation |
F | 0042802 | molecular_function | identical protein binding |
G | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
G | 0005515 | molecular_function | protein binding |
G | 0005737 | cellular_component | cytoplasm |
G | 0005829 | cellular_component | cytosol |
G | 0005886 | cellular_component | plasma membrane |
G | 0006633 | biological_process | fatty acid biosynthetic process |
G | 0009274 | cellular_component | peptidoglycan-based cell wall |
G | 0016746 | molecular_function | acyltransferase activity |
G | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
G | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
G | 0030497 | biological_process | fatty acid elongation |
G | 0042802 | molecular_function | identical protein binding |
H | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
H | 0005515 | molecular_function | protein binding |
H | 0005737 | cellular_component | cytoplasm |
H | 0005829 | cellular_component | cytosol |
H | 0005886 | cellular_component | plasma membrane |
H | 0006633 | biological_process | fatty acid biosynthetic process |
H | 0009274 | cellular_component | peptidoglycan-based cell wall |
H | 0016746 | molecular_function | acyltransferase activity |
H | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
H | 0019367 | biological_process | fatty acid elongation, saturated fatty acid |
H | 0030497 | biological_process | fatty acid elongation |
H | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TLM A 1417 |
Chain | Residue |
A | GLN171 |
A | PHE404 |
A | HOH2132 |
A | VAL278 |
A | ALA279 |
A | PRO280 |
A | HIS311 |
A | THR313 |
A | HIS345 |
A | PHE402 |
A | GLY403 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA A 1418 |
Chain | Residue |
A | ASN309 |
A | ALA310 |
A | HIS311 |
A | GLU354 |
A | ASN399 |
A | ASN400 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 2PE A 1419 |
Chain | Residue |
A | GLY115 |
A | LEU116 |
A | GLU120 |
A | VAL123 |
A | PRO201 |
A | ALA209 |
B | MET146 |
site_id | AC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PEG A 1420 |
Chain | Residue |
A | GLU199 |
A | GLY200 |
A | PHE239 |
A | HIS345 |
site_id | AC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 2PE B 1417 |
Chain | Residue |
B | GLU120 |
B | GLU199 |
B | GLY200 |
B | PRO201 |
B | GLU203 |
B | HIS345 |
B | PEG1423 |
site_id | AC6 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TLM B 1419 |
Chain | Residue |
B | GLN171 |
B | VAL278 |
B | ALA279 |
B | PRO280 |
B | HIS311 |
B | THR313 |
B | HIS345 |
B | PHE402 |
B | PHE404 |
B | GLY406 |
B | HOH2137 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA B 1420 |
Chain | Residue |
B | ASN309 |
B | ALA310 |
B | HIS311 |
B | GLU354 |
B | ASN399 |
B | ASN400 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PEG B 1423 |
Chain | Residue |
A | VAL142 |
B | GLY115 |
B | ALA170 |
B | PHE210 |
B | ILE347 |
B | 2PE1417 |
site_id | AC9 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE PEG B 1424 |
Chain | Residue |
B | MET213 |
B | ARG214 |
B | VAL278 |
B | ILE317 |
B | HOH2061 |
B | HOH2084 |
B | HOH2138 |
D | TYR391 |
site_id | BC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE PEG B 1425 |
Chain | Residue |
B | ARG79 |
B | MET80 |
B | GLN84 |
B | GLN143 |
B | VAL153 |
B | LEU156 |
B | GLN157 |
site_id | BC2 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TLM C 1417 |
Chain | Residue |
C | GLN171 |
C | VAL278 |
C | ALA279 |
C | PRO280 |
C | HIS311 |
C | THR313 |
C | HIS345 |
C | PHE402 |
C | GLY403 |
C | PHE404 |
C | GLY406 |
site_id | BC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA C 1418 |
Chain | Residue |
C | ASN309 |
C | ALA310 |
C | HIS311 |
C | GLU354 |
C | ASN399 |
C | ASN400 |
site_id | BC4 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE 2PE C 1419 |
Chain | Residue |
C | GLY117 |
C | GLU120 |
C | GLY200 |
C | PRO201 |
C | LEU205 |
C | ALA209 |
D | ILE145 |
D | MET146 |
site_id | BC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TLM D 1417 |
Chain | Residue |
D | VAL278 |
D | ALA279 |
D | PRO280 |
D | HIS311 |
D | HIS345 |
D | PHE402 |
D | GLY403 |
D | PHE404 |
D | GLY406 |
D | HOH2127 |
D | GLN171 |
site_id | BC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA D 1418 |
Chain | Residue |
D | ASN309 |
D | ALA310 |
D | HIS311 |
D | GLU354 |
D | ASN399 |
D | ASN400 |
site_id | BC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE 2PE D 1419 |
Chain | Residue |
C | ILE145 |
D | GLU120 |
D | GLU199 |
D | PRO201 |
D | ALA209 |
site_id | BC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE TLM E 1417 |
Chain | Residue |
E | GLN171 |
E | VAL278 |
E | ALA279 |
E | PRO280 |
E | HIS311 |
E | THR313 |
E | HIS345 |
E | PHE402 |
E | PHE404 |
site_id | BC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA E 1418 |
Chain | Residue |
E | ASN309 |
E | ALA310 |
E | HIS311 |
E | GLU354 |
E | ASN399 |
E | ASN400 |
site_id | CC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE 2PE E 1419 |
Chain | Residue |
E | GLY115 |
E | GLU120 |
E | PRO201 |
E | LEU205 |
E | ALA209 |
F | MET146 |
site_id | CC2 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE TLM F 1417 |
Chain | Residue |
F | GLN171 |
F | PHE237 |
F | VAL278 |
F | ALA279 |
F | PRO280 |
F | HIS311 |
F | THR313 |
F | HIS345 |
F | PHE402 |
F | GLY403 |
F | PHE404 |
F | GLY406 |
site_id | CC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA F 1418 |
Chain | Residue |
F | ASN309 |
F | ALA310 |
F | HIS311 |
F | GLU354 |
F | ASN399 |
F | ASN400 |
site_id | CC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PEG F 1419 |
Chain | Residue |
F | GLU199 |
F | GLY200 |
F | PHE210 |
F | PHE239 |
F | HIS345 |
F | 2PE1420 |
site_id | CC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 2PE F 1420 |
Chain | Residue |
E | ILE145 |
F | GLY115 |
F | ALA119 |
F | GLU120 |
F | PRO201 |
F | ILE347 |
F | PEG1419 |
site_id | CC6 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 2PE G 1417 |
Chain | Residue |
G | GLY115 |
G | ALA119 |
G | GLU120 |
G | PRO201 |
G | GLU203 |
G | LEU205 |
G | ALA209 |
site_id | CC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PEG G 1418 |
Chain | Residue |
G | GLU199 |
G | GLY200 |
G | HIS345 |
G | ILE347 |
site_id | CC8 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE TLM G 1419 |
Chain | Residue |
G | GLN171 |
G | VAL278 |
G | ALA279 |
G | PRO280 |
G | HIS311 |
G | THR313 |
G | HIS345 |
G | PHE402 |
G | PHE404 |
G | HOH2093 |
site_id | CC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA G 1420 |
Chain | Residue |
G | ASN309 |
G | ALA310 |
G | HIS311 |
G | GLU354 |
G | ASN399 |
G | ASN400 |
site_id | DC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TLM H 1417 |
Chain | Residue |
H | GLN171 |
H | VAL278 |
H | ALA279 |
H | PRO280 |
H | HIS311 |
H | THR313 |
H | HIS345 |
H | PHE402 |
H | GLY403 |
H | PHE404 |
H | GLY406 |
site_id | DC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE NA H 1418 |
Chain | Residue |
H | ASN309 |
H | ALA310 |
H | HIS311 |
H | GLU354 |
H | ASN399 |
H | ASN400 |
site_id | DC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE 2PE H 1419 |
Chain | Residue |
G | ILE145 |
H | GLY115 |
H | GLU120 |
H | PRO201 |
H | LEU205 |
H | ALA209 |
site_id | DC4 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE PEG C 1420 |
Chain | Residue |
C | GLU199 |
C | GLY200 |
C | ILE202 |
C | PRO206 |
C | PHE239 |
C | GLU241 |
C | HIS345 |
C | ILE347 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | ACT_SITE: For beta-ketoacyl synthase activity => ECO:0000255|PROSITE-ProRule:PRU01348, ECO:0000305|PubMed:19604480, ECO:0000305|PubMed:24108128, ECO:0000305|PubMed:24479625 |
Chain | Residue | Details |
A | GLN171 | |
B | GLN171 | |
C | GLN171 | |
D | GLN171 | |
E | GLN171 | |
F | GLN171 | |
G | GLN171 | |
H | GLN171 |
site_id | SWS_FT_FI2 |
Number of Residues | 16 |
Details | ACT_SITE: For beta-ketoacyl synthase activity => ECO:0000255|PROSITE-ProRule:PRU01348 |
Chain | Residue | Details |
A | HIS311 | |
E | HIS345 | |
F | HIS311 | |
F | HIS345 | |
G | HIS311 | |
G | HIS345 | |
H | HIS311 | |
H | HIS345 | |
A | HIS345 | |
B | HIS311 | |
B | HIS345 | |
C | HIS311 | |
C | HIS345 | |
D | HIS311 | |
D | HIS345 | |
E | HIS311 |
site_id | SWS_FT_FI3 |
Number of Residues | 16 |
Details | BINDING: BINDING => ECO:0000305|PubMed:19604480, ECO:0000305|PubMed:24108128 |
Chain | Residue | Details |
A | HIS311 | |
E | HIS345 | |
F | HIS311 | |
F | HIS345 | |
G | HIS311 | |
G | HIS345 | |
H | HIS311 | |
H | HIS345 | |
A | HIS345 | |
B | HIS311 | |
B | HIS345 | |
C | HIS311 | |
C | HIS345 | |
D | HIS311 | |
D | HIS345 | |
E | HIS311 |
site_id | SWS_FT_FI4 |
Number of Residues | 24 |
Details | SITE: Interacts with the inhibitor thiolactomycin => ECO:0000269|PubMed:19604480, ECO:0000269|PubMed:24108128 |
Chain | Residue | Details |
A | GLN171 | |
D | GLN171 | |
D | HIS311 | |
D | HIS345 | |
E | GLN171 | |
E | HIS311 | |
E | HIS345 | |
F | GLN171 | |
F | HIS311 | |
F | HIS345 | |
G | GLN171 | |
A | HIS311 | |
G | HIS311 | |
G | HIS345 | |
H | GLN171 | |
H | HIS311 | |
H | HIS345 | |
A | HIS345 | |
B | GLN171 | |
B | HIS311 | |
B | HIS345 | |
C | GLN171 | |
C | HIS311 | |
C | HIS345 |