6B5E
Mycobacterium tuberculosis RmlA in complex with dTDP-glucose
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0005886 | cellular_component | plasma membrane |
A | 0006006 | biological_process | glucose metabolic process |
A | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
A | 0009058 | biological_process | biosynthetic process |
A | 0009274 | cellular_component | peptidoglycan-based cell wall |
A | 0016779 | molecular_function | nucleotidyltransferase activity |
A | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
A | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
A | 0046075 | biological_process | dTTP metabolic process |
A | 0046872 | molecular_function | metal ion binding |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0005886 | cellular_component | plasma membrane |
B | 0006006 | biological_process | glucose metabolic process |
B | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
B | 0009058 | biological_process | biosynthetic process |
B | 0009274 | cellular_component | peptidoglycan-based cell wall |
B | 0016779 | molecular_function | nucleotidyltransferase activity |
B | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
B | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
B | 0046075 | biological_process | dTTP metabolic process |
B | 0046872 | molecular_function | metal ion binding |
C | 0000287 | molecular_function | magnesium ion binding |
C | 0005886 | cellular_component | plasma membrane |
C | 0006006 | biological_process | glucose metabolic process |
C | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
C | 0009058 | biological_process | biosynthetic process |
C | 0009274 | cellular_component | peptidoglycan-based cell wall |
C | 0016779 | molecular_function | nucleotidyltransferase activity |
C | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
C | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
C | 0046075 | biological_process | dTTP metabolic process |
C | 0046872 | molecular_function | metal ion binding |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0005886 | cellular_component | plasma membrane |
D | 0006006 | biological_process | glucose metabolic process |
D | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
D | 0009058 | biological_process | biosynthetic process |
D | 0009274 | cellular_component | peptidoglycan-based cell wall |
D | 0016779 | molecular_function | nucleotidyltransferase activity |
D | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
D | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
D | 0046075 | biological_process | dTTP metabolic process |
D | 0046872 | molecular_function | metal ion binding |
E | 0000287 | molecular_function | magnesium ion binding |
E | 0005886 | cellular_component | plasma membrane |
E | 0006006 | biological_process | glucose metabolic process |
E | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
E | 0009058 | biological_process | biosynthetic process |
E | 0009274 | cellular_component | peptidoglycan-based cell wall |
E | 0016779 | molecular_function | nucleotidyltransferase activity |
E | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
E | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
E | 0046075 | biological_process | dTTP metabolic process |
E | 0046872 | molecular_function | metal ion binding |
F | 0000287 | molecular_function | magnesium ion binding |
F | 0005886 | cellular_component | plasma membrane |
F | 0006006 | biological_process | glucose metabolic process |
F | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
F | 0009058 | biological_process | biosynthetic process |
F | 0009274 | cellular_component | peptidoglycan-based cell wall |
F | 0016779 | molecular_function | nucleotidyltransferase activity |
F | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
F | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
F | 0046075 | biological_process | dTTP metabolic process |
F | 0046872 | molecular_function | metal ion binding |
G | 0000287 | molecular_function | magnesium ion binding |
G | 0005886 | cellular_component | plasma membrane |
G | 0006006 | biological_process | glucose metabolic process |
G | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
G | 0009058 | biological_process | biosynthetic process |
G | 0009274 | cellular_component | peptidoglycan-based cell wall |
G | 0016779 | molecular_function | nucleotidyltransferase activity |
G | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
G | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
G | 0046075 | biological_process | dTTP metabolic process |
G | 0046872 | molecular_function | metal ion binding |
H | 0000287 | molecular_function | magnesium ion binding |
H | 0005886 | cellular_component | plasma membrane |
H | 0006006 | biological_process | glucose metabolic process |
H | 0008879 | molecular_function | glucose-1-phosphate thymidylyltransferase activity |
H | 0009058 | biological_process | biosynthetic process |
H | 0009274 | cellular_component | peptidoglycan-based cell wall |
H | 0016779 | molecular_function | nucleotidyltransferase activity |
H | 0019305 | biological_process | dTDP-rhamnose biosynthetic process |
H | 0045226 | biological_process | extracellular polysaccharide biosynthetic process |
H | 0046075 | biological_process | dTTP metabolic process |
H | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 35 |
Details | binding site for residue DAU A 301 |
Chain | Residue |
A | LEU6 |
A | GLY85 |
A | LEU86 |
A | LEU106 |
A | GLY107 |
A | ASP108 |
A | ASN109 |
A | TYR142 |
A | GLY143 |
A | GLU158 |
A | LYS159 |
A | ALA7 |
A | VAL169 |
A | GLU193 |
A | TRP220 |
A | ASP222 |
A | MG302 |
A | CL304 |
A | HOH409 |
A | HOH411 |
A | HOH417 |
A | HOH429 |
A | GLY8 |
A | HOH467 |
A | HOH476 |
A | HOH492 |
A | HOH521 |
A | HOH522 |
A | HOH549 |
A | GLY9 |
A | LYS23 |
A | GLN24 |
A | GLN80 |
A | PRO83 |
A | ASP84 |
site_id | AC2 |
Number of Residues | 5 |
Details | binding site for residue MG A 302 |
Chain | Residue |
A | ASP108 |
A | ASP222 |
A | DAU301 |
A | HOH417 |
A | HOH492 |
site_id | AC3 |
Number of Residues | 15 |
Details | binding site for residue TYD A 303 |
Chain | Residue |
A | MET43 |
A | TYR112 |
A | GLY113 |
A | GLY115 |
A | GLY117 |
A | THR118 |
A | SER119 |
A | VAL247 |
A | SER248 |
A | GLU252 |
A | VAL253 |
A | ARG256 |
A | HOH460 |
A | HOH541 |
A | HOH567 |
site_id | AC4 |
Number of Residues | 3 |
Details | binding site for residue CL A 304 |
Chain | Residue |
A | GLY11 |
A | LYS23 |
A | DAU301 |
site_id | AC5 |
Number of Residues | 8 |
Details | binding site for residue EDO A 305 |
Chain | Residue |
A | ALA58 |
A | HOH427 |
A | HOH468 |
A | HOH540 |
C | GLY66 |
C | ASP67 |
C | TYR77 |
C | HOH486 |
site_id | AC6 |
Number of Residues | 31 |
Details | binding site for residue DAU B 301 |
Chain | Residue |
B | LEU6 |
B | GLY8 |
B | GLY9 |
B | LYS23 |
B | GLN24 |
B | GLN80 |
B | PRO83 |
B | ASP84 |
B | GLY85 |
B | LEU86 |
B | LEU106 |
B | GLY107 |
B | ASP108 |
B | ASN109 |
B | TYR142 |
B | GLY143 |
B | GLU158 |
B | LYS159 |
B | VAL169 |
B | GLU193 |
B | TRP220 |
B | ASP222 |
B | MG302 |
B | HOH416 |
B | HOH433 |
B | HOH451 |
B | HOH463 |
B | HOH467 |
B | HOH520 |
B | HOH528 |
B | HOH553 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue MG B 302 |
Chain | Residue |
B | DAU301 |
B | HOH416 |
B | HOH451 |
B | ASP108 |
B | ASP222 |
site_id | AC8 |
Number of Residues | 6 |
Details | binding site for residue MG B 303 |
Chain | Residue |
B | ARG2 |
B | HOH478 |
B | HOH607 |
E | ASP67 |
E | HOH451 |
E | HOH467 |
site_id | AC9 |
Number of Residues | 17 |
Details | binding site for residue TYD B 304 |
Chain | Residue |
B | MET43 |
B | TYR112 |
B | GLY113 |
B | PRO114 |
B | GLY115 |
B | GLY117 |
B | THR118 |
B | SER119 |
B | VAL247 |
B | SER248 |
B | GLU252 |
B | VAL253 |
B | ARG256 |
B | HOH469 |
B | HOH474 |
B | HOH532 |
B | HOH537 |
site_id | AD1 |
Number of Residues | 5 |
Details | binding site for residue NA B 305 |
Chain | Residue |
B | ASP100 |
B | HOH517 |
B | HOH568 |
B | HOH582 |
B | HOH648 |
site_id | AD2 |
Number of Residues | 29 |
Details | binding site for residue DAU C 301 |
Chain | Residue |
C | LEU6 |
C | ALA7 |
C | GLY8 |
C | GLY9 |
C | LYS23 |
C | GLN24 |
C | GLN80 |
C | PRO83 |
C | ASP84 |
C | GLY85 |
C | LEU86 |
C | LEU106 |
C | GLY107 |
C | ASP108 |
C | ASN109 |
C | TYR142 |
C | GLY143 |
C | GLU158 |
C | LYS159 |
C | VAL169 |
C | TRP220 |
C | ASP222 |
C | MG302 |
C | HOH412 |
C | HOH417 |
C | HOH424 |
C | HOH443 |
C | HOH454 |
C | HOH522 |
site_id | AD3 |
Number of Residues | 5 |
Details | binding site for residue MG C 302 |
Chain | Residue |
C | ASP108 |
C | ASP222 |
C | DAU301 |
C | HOH417 |
C | HOH424 |
site_id | AD4 |
Number of Residues | 13 |
Details | binding site for residue TYD C 303 |
Chain | Residue |
C | MET43 |
C | TYR112 |
C | GLY113 |
C | PRO114 |
C | GLY115 |
C | GLY117 |
C | THR118 |
C | SER119 |
C | VAL247 |
C | SER248 |
C | GLU252 |
C | ARG256 |
C | HOH444 |
site_id | AD5 |
Number of Residues | 6 |
Details | binding site for residue NA C 304 |
Chain | Residue |
C | SER10 |
C | THR18 |
C | ILE21 |
C | HOH437 |
C | HOH438 |
C | HOH541 |
site_id | AD6 |
Number of Residues | 30 |
Details | binding site for residue DAU D 301 |
Chain | Residue |
D | LEU6 |
D | ALA7 |
D | GLY8 |
D | GLY9 |
D | LYS23 |
D | GLN24 |
D | GLN80 |
D | PRO83 |
D | ASP84 |
D | GLY85 |
D | LEU86 |
D | LEU106 |
D | GLY107 |
D | ASP108 |
D | ASN109 |
D | TYR142 |
D | GLY143 |
D | GLU158 |
D | LYS159 |
D | VAL169 |
D | TRP220 |
D | ASP222 |
D | MG302 |
D | HOH417 |
D | HOH422 |
D | HOH446 |
D | HOH455 |
D | HOH467 |
D | HOH468 |
D | HOH488 |
site_id | AD7 |
Number of Residues | 5 |
Details | binding site for residue MG D 302 |
Chain | Residue |
D | ASP108 |
D | ASP222 |
D | DAU301 |
D | HOH417 |
D | HOH422 |
site_id | AD8 |
Number of Residues | 14 |
Details | binding site for residue TYD D 303 |
Chain | Residue |
D | MET43 |
D | TYR112 |
D | GLY113 |
D | PRO114 |
D | GLY115 |
D | GLY117 |
D | THR118 |
D | SER119 |
D | VAL247 |
D | SER248 |
D | GLU252 |
D | VAL253 |
D | ARG256 |
D | HOH480 |
site_id | AD9 |
Number of Residues | 34 |
Details | binding site for residue DAU E 301 |
Chain | Residue |
E | LEU6 |
E | ALA7 |
E | GLY8 |
E | GLY9 |
E | LYS23 |
E | GLN24 |
E | GLN80 |
E | PRO83 |
E | ASP84 |
E | GLY85 |
E | LEU86 |
E | LEU106 |
E | GLY107 |
E | ASP108 |
E | ASN109 |
E | TYR142 |
E | GLY143 |
E | GLU158 |
E | LYS159 |
E | VAL169 |
E | GLU193 |
E | THR197 |
E | TRP220 |
E | ASP222 |
E | MG303 |
E | HOH417 |
E | HOH434 |
E | HOH439 |
E | HOH448 |
E | HOH459 |
E | HOH491 |
E | HOH493 |
E | HOH521 |
E | HOH526 |
site_id | AE1 |
Number of Residues | 21 |
Details | binding site for residue DAU E 302 |
Chain | Residue |
C | ASP178 |
C | ARG208 |
C | HOH414 |
E | MET43 |
E | TYR112 |
E | GLY113 |
E | GLY115 |
E | LEU116 |
E | GLY117 |
E | THR118 |
E | SER119 |
E | VAL247 |
E | SER248 |
E | GLU252 |
E | VAL253 |
E | ARG256 |
E | HOH405 |
E | HOH431 |
E | HOH460 |
E | HOH501 |
E | HOH542 |
site_id | AE2 |
Number of Residues | 5 |
Details | binding site for residue MG E 303 |
Chain | Residue |
E | ASP108 |
E | ASP222 |
E | DAU301 |
E | HOH417 |
E | HOH434 |
site_id | AE3 |
Number of Residues | 28 |
Details | binding site for residue DAU F 301 |
Chain | Residue |
F | LEU6 |
F | GLY8 |
F | GLY9 |
F | LYS23 |
F | GLN24 |
F | GLN80 |
F | PRO83 |
F | ASP84 |
F | GLY85 |
F | LEU86 |
F | LEU106 |
F | GLY107 |
F | ASP108 |
F | ASN109 |
F | TYR142 |
F | GLY143 |
F | GLU158 |
F | LYS159 |
F | VAL169 |
F | TRP220 |
F | ASP222 |
F | MG303 |
F | HOH415 |
F | HOH428 |
F | HOH434 |
F | HOH436 |
F | HOH483 |
F | HOH504 |
site_id | AE4 |
Number of Residues | 21 |
Details | binding site for residue DAU F 302 |
Chain | Residue |
F | MET43 |
F | TYR112 |
F | GLY113 |
F | PRO114 |
F | GLY115 |
F | GLY117 |
F | THR118 |
F | SER119 |
F | VAL247 |
F | SER248 |
F | GLU252 |
F | VAL253 |
F | ARG256 |
F | HOH449 |
F | HOH462 |
F | HOH476 |
F | HOH484 |
F | HOH494 |
F | HOH505 |
F | HOH530 |
H | HOH419 |
site_id | AE5 |
Number of Residues | 5 |
Details | binding site for residue MG F 303 |
Chain | Residue |
F | ASP108 |
F | ASP222 |
F | DAU301 |
F | HOH428 |
F | HOH434 |
site_id | AE6 |
Number of Residues | 32 |
Details | binding site for residue DAU G 301 |
Chain | Residue |
G | LEU6 |
G | GLY8 |
G | GLY9 |
G | LYS23 |
G | GLN24 |
G | GLN80 |
G | PRO83 |
G | ASP84 |
G | GLY85 |
G | LEU86 |
G | LEU106 |
G | GLY107 |
G | ASP108 |
G | ASN109 |
G | TYR142 |
G | GLY143 |
G | GLU158 |
G | LYS159 |
G | VAL169 |
G | GLU193 |
G | THR197 |
G | TRP220 |
G | ASP222 |
G | MG302 |
G | HOH415 |
G | HOH422 |
G | HOH436 |
G | HOH441 |
G | HOH475 |
G | HOH485 |
G | HOH499 |
G | HOH522 |
site_id | AE7 |
Number of Residues | 5 |
Details | binding site for residue MG G 302 |
Chain | Residue |
G | ASP108 |
G | ASP222 |
G | DAU301 |
G | HOH415 |
G | HOH436 |
site_id | AE8 |
Number of Residues | 17 |
Details | binding site for residue TYD G 303 |
Chain | Residue |
G | MET43 |
G | TYR112 |
G | GLY113 |
G | PRO114 |
G | GLY115 |
G | LEU116 |
G | GLY117 |
G | THR118 |
G | SER119 |
G | VAL247 |
G | SER248 |
G | GLU252 |
G | VAL253 |
G | ARG256 |
G | HOH453 |
G | HOH479 |
G | HOH491 |
site_id | AE9 |
Number of Residues | 28 |
Details | binding site for residue DAU H 301 |
Chain | Residue |
H | LEU6 |
H | ALA7 |
H | GLY8 |
H | GLY9 |
H | LYS23 |
H | GLN24 |
H | GLN80 |
H | PRO83 |
H | ASP84 |
H | GLY85 |
H | LEU86 |
H | LEU106 |
H | GLY107 |
H | ASP108 |
H | ASN109 |
H | TYR142 |
H | GLY143 |
H | GLU158 |
H | LYS159 |
H | VAL169 |
H | GLU193 |
H | TRP220 |
H | ASP222 |
H | MG302 |
H | HOH405 |
H | HOH417 |
H | HOH418 |
H | HOH473 |
site_id | AF1 |
Number of Residues | 5 |
Details | binding site for residue MG H 302 |
Chain | Residue |
H | ASP108 |
H | ASP222 |
H | DAU301 |
H | HOH405 |
H | HOH417 |
site_id | AF2 |
Number of Residues | 12 |
Details | binding site for residue TYD H 303 |
Chain | Residue |
H | MET43 |
H | TYR112 |
H | GLY113 |
H | GLY115 |
H | GLY117 |
H | THR118 |
H | SER119 |
H | VAL247 |
H | SER248 |
H | GLU252 |
H | HOH434 |
H | HOH465 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 64 |
Details | BINDING: BINDING => ECO:0000269|PubMed:29076563, ECO:0007744|PDB:6B5K |
Chain | Residue | Details |
C | GLY8 | |
C | GLY11 | |
C | THR12 | |
C | ARG13 | |
C | LYS23 | |
C | GLN24 | |
C | GLN80 | |
C | GLY85 | |
D | GLY8 | |
D | GLY11 | |
D | THR12 | |
D | ARG13 | |
D | LYS23 | |
D | GLN24 | |
D | GLN80 | |
D | GLY85 | |
E | GLY8 | |
E | GLY11 | |
E | THR12 | |
E | ARG13 | |
E | LYS23 | |
E | GLN24 | |
E | GLN80 | |
E | GLY85 | |
F | GLY8 | |
F | GLY11 | |
F | THR12 | |
F | ARG13 | |
F | LYS23 | |
F | GLN24 | |
F | GLN80 | |
F | GLY85 | |
G | GLY8 | |
G | GLY11 | |
G | THR12 | |
G | ARG13 | |
G | LYS23 | |
G | GLN24 | |
G | GLN80 | |
G | GLY85 | |
H | GLY8 | |
H | GLY11 | |
H | THR12 | |
H | ARG13 | |
H | LYS23 | |
H | GLN24 | |
H | GLN80 | |
H | GLY85 | |
A | GLY8 | |
A | GLY11 | |
A | THR12 | |
A | ARG13 | |
A | LYS23 | |
A | GLN24 | |
A | GLN80 | |
A | GLY85 | |
B | GLY8 | |
B | GLY11 | |
B | THR12 | |
B | ARG13 | |
B | LYS23 | |
B | GLN24 | |
B | GLN80 | |
B | GLY85 |
site_id | SWS_FT_FI2 |
Number of Residues | 16 |
Details | BINDING: BINDING => ECO:0000269|PubMed:29076563, ECO:0007744|PDB:6B5E, ECO:0007744|PDB:6B5K |
Chain | Residue | Details |
A | ASP108 | |
A | ASP222 | |
B | ASP108 | |
B | ASP222 | |
C | ASP108 | |
C | ASP222 | |
D | ASP108 | |
D | ASP222 | |
E | ASP108 | |
E | ASP222 | |
F | ASP108 | |
F | ASP222 | |
G | ASP108 | |
G | ASP222 | |
H | ASP108 | |
H | ASP222 |
site_id | SWS_FT_FI3 |
Number of Residues | 40 |
Details | BINDING: BINDING => ECO:0000269|PubMed:29076563, ECO:0007744|PDB:6B5E |
Chain | Residue | Details |
A | ASN109 | |
A | GLY143 | |
A | GLU158 | |
A | LYS159 | |
A | VAL169 | |
B | ASN109 | |
B | GLY143 | |
B | GLU158 | |
B | LYS159 | |
B | VAL169 | |
C | ASN109 | |
C | GLY143 | |
C | GLU158 | |
C | LYS159 | |
C | VAL169 | |
D | ASN109 | |
D | GLY143 | |
D | GLU158 | |
D | LYS159 | |
D | VAL169 | |
E | ASN109 | |
E | GLY143 | |
E | GLU158 | |
E | LYS159 | |
E | VAL169 | |
F | ASN109 | |
F | GLY143 | |
F | GLU158 | |
F | LYS159 | |
F | VAL169 | |
G | ASN109 | |
G | GLY143 | |
G | GLU158 | |
G | LYS159 | |
G | VAL169 | |
H | ASN109 | |
H | GLY143 | |
H | GLU158 | |
H | LYS159 | |
H | VAL169 |
site_id | SWS_FT_FI4 |
Number of Residues | 24 |
Details | MOD_RES: Phosphothreonine; by PknB => ECO:0000269|PubMed:33868202 |
Chain | Residue | Details |
A | THR12 | |
A | THR54 | |
A | THR197 | |
B | THR12 | |
B | THR54 | |
B | THR197 | |
C | THR12 | |
C | THR54 | |
C | THR197 | |
D | THR12 | |
D | THR54 | |
D | THR197 | |
E | THR12 | |
E | THR54 | |
E | THR197 | |
F | THR12 | |
F | THR54 | |
F | THR197 | |
G | THR12 | |
G | THR54 | |
G | THR197 | |
H | THR12 | |
H | THR54 | |
H | THR197 |