3DHY
Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004013 | molecular_function | adenosylhomocysteinase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0009087 | biological_process | methionine catabolic process |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0033353 | biological_process | S-adenosylmethionine cycle |
| A | 0035375 | molecular_function | zymogen binding |
| A | 0035635 | biological_process | entry of bacterium into host cell |
| A | 0044650 | biological_process | adhesion of symbiont to host cell |
| A | 0046085 | biological_process | adenosine metabolic process |
| A | 0070403 | molecular_function | NAD+ binding |
| B | 0004013 | molecular_function | adenosylhomocysteinase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0009087 | biological_process | methionine catabolic process |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0033353 | biological_process | S-adenosylmethionine cycle |
| B | 0035375 | molecular_function | zymogen binding |
| B | 0035635 | biological_process | entry of bacterium into host cell |
| B | 0044650 | biological_process | adhesion of symbiont to host cell |
| B | 0046085 | biological_process | adenosine metabolic process |
| B | 0070403 | molecular_function | NAD+ binding |
| C | 0004013 | molecular_function | adenosylhomocysteinase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0006730 | biological_process | one-carbon metabolic process |
| C | 0009087 | biological_process | methionine catabolic process |
| C | 0009274 | cellular_component | peptidoglycan-based cell wall |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0033353 | biological_process | S-adenosylmethionine cycle |
| C | 0035375 | molecular_function | zymogen binding |
| C | 0035635 | biological_process | entry of bacterium into host cell |
| C | 0044650 | biological_process | adhesion of symbiont to host cell |
| C | 0046085 | biological_process | adenosine metabolic process |
| C | 0070403 | molecular_function | NAD+ binding |
| D | 0004013 | molecular_function | adenosylhomocysteinase activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005576 | cellular_component | extracellular region |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0006730 | biological_process | one-carbon metabolic process |
| D | 0009087 | biological_process | methionine catabolic process |
| D | 0009274 | cellular_component | peptidoglycan-based cell wall |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0033353 | biological_process | S-adenosylmethionine cycle |
| D | 0035375 | molecular_function | zymogen binding |
| D | 0035635 | biological_process | entry of bacterium into host cell |
| D | 0044650 | biological_process | adhesion of symbiont to host cell |
| D | 0046085 | biological_process | adenosine metabolic process |
| D | 0070403 | molecular_function | NAD+ binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 3DH A 500 |
| Chain | Residue |
| A | HIS69 |
| A | LEU407 |
| A | THR414 |
| A | GLY415 |
| A | HIS416 |
| A | MET421 |
| A | PHE425 |
| A | THR71 |
| A | GLN73 |
| A | THR74 |
| A | ASP156 |
| A | GLU218 |
| A | THR219 |
| A | LYS248 |
| A | ASP252 |
| site_id | AC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAD A 550 |
| Chain | Residue |
| A | THR219 |
| A | THR220 |
| A | THR221 |
| A | ASN253 |
| A | GLY282 |
| A | GLY284 |
| A | ASP285 |
| A | THR304 |
| A | GLU305 |
| A | ILE306 |
| A | ASN310 |
| A | THR338 |
| A | GLY339 |
| A | ASN340 |
| A | ILE343 |
| A | ILE361 |
| A | GLY362 |
| A | HIS363 |
| A | LEU407 |
| A | ASN409 |
| A | HIS416 |
| B | GLN476 |
| B | LYS489 |
| B | TYR493 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 3DH B 500 |
| Chain | Residue |
| B | LEU68 |
| B | HIS69 |
| B | THR71 |
| B | GLN73 |
| B | THR74 |
| B | ASP156 |
| B | GLU218 |
| B | THR219 |
| B | LYS248 |
| B | ASP252 |
| B | GLY362 |
| B | THR414 |
| B | HIS416 |
| B | MET421 |
| site_id | AC4 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD B 550 |
| Chain | Residue |
| A | GLN476 |
| A | LYS489 |
| A | TYR493 |
| B | THR219 |
| B | THR220 |
| B | THR221 |
| B | ASN253 |
| B | GLY282 |
| B | GLY284 |
| B | ASP285 |
| B | THR304 |
| B | GLU305 |
| B | ILE306 |
| B | ASP307 |
| B | ASN310 |
| B | THR338 |
| B | GLY339 |
| B | ASN340 |
| B | ILE343 |
| B | ILE361 |
| B | GLY362 |
| B | HIS363 |
| B | LEU407 |
| B | ASN409 |
| B | HIS416 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 3DH C 500 |
| Chain | Residue |
| C | HIS69 |
| C | THR71 |
| C | GLN73 |
| C | THR74 |
| C | ASP156 |
| C | GLU218 |
| C | THR219 |
| C | LYS248 |
| C | ASP252 |
| C | LEU407 |
| C | LEU410 |
| C | THR414 |
| C | HIS416 |
| C | MET421 |
| C | PHE425 |
| site_id | AC6 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE NAD C 550 |
| Chain | Residue |
| C | THR304 |
| C | GLU305 |
| C | ILE306 |
| C | ASP307 |
| C | THR338 |
| C | GLY339 |
| C | ASN340 |
| C | ILE343 |
| C | ILE361 |
| C | GLY362 |
| C | HIS363 |
| C | ASN409 |
| C | HIS416 |
| D | GLN476 |
| D | LYS489 |
| D | TYR493 |
| C | THR219 |
| C | THR220 |
| C | THR221 |
| C | ASN253 |
| C | GLY284 |
| C | ASP285 |
| site_id | AC7 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE 3DH D 500 |
| Chain | Residue |
| D | LEU68 |
| D | HIS69 |
| D | THR71 |
| D | GLN73 |
| D | THR74 |
| D | ASP156 |
| D | GLU218 |
| D | THR219 |
| D | LYS248 |
| D | ASP252 |
| D | LEU407 |
| D | LEU410 |
| D | THR414 |
| D | GLY415 |
| D | HIS416 |
| D | MET421 |
| D | PHE425 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NAD D 550 |
| Chain | Residue |
| C | GLN476 |
| C | LYS489 |
| C | TYR493 |
| D | THR219 |
| D | THR220 |
| D | THR221 |
| D | ASN253 |
| D | GLY282 |
| D | GLY284 |
| D | ASP285 |
| D | THR304 |
| D | GLU305 |
| D | ILE306 |
| D | ASP307 |
| D | THR338 |
| D | GLY339 |
| D | ASN340 |
| D | ILE343 |
| D | ILE361 |
| D | GLY362 |
| D | HIS363 |
| D | ASN409 |
| D | HIS416 |
Functional Information from PROSITE/UniProt
| site_id | PS00738 |
| Number of Residues | 15 |
| Details | ADOHCYASE_1 S-adenosyl-L-homocysteine hydrolase signature 1. SCNiFSTQDhAAAAV |
| Chain | Residue | Details |
| A | SER92-VAL106 |
| site_id | PS00739 |
| Number of Residues | 17 |
| Details | ADOHCYASE_2 S-adenosyl-L-homocysteine hydrolase signature 2. GKkvlIcGYGdVGKGc.A |
| Chain | Residue | Details |
| A | GLY275-ALA291 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00563 |
| Chain | Residue | Details |
| A | THR71 | |
| A | ASN340 | |
| A | ILE361 | |
| A | ASN409 | |
| B | THR71 | |
| B | ASP156 | |
| B | GLU218 | |
| B | THR219 | |
| B | LYS248 | |
| B | ASP252 | |
| B | ASN253 | |
| A | ASP156 | |
| B | GLY282 | |
| B | GLU305 | |
| B | ASN340 | |
| B | ILE361 | |
| B | ASN409 | |
| C | THR71 | |
| C | ASP156 | |
| C | GLU218 | |
| C | THR219 | |
| C | LYS248 | |
| A | GLU218 | |
| C | ASP252 | |
| C | ASN253 | |
| C | GLY282 | |
| C | GLU305 | |
| C | ASN340 | |
| C | ILE361 | |
| C | ASN409 | |
| D | THR71 | |
| D | ASP156 | |
| D | GLU218 | |
| A | THR219 | |
| D | THR219 | |
| D | LYS248 | |
| D | ASP252 | |
| D | ASN253 | |
| D | GLY282 | |
| D | GLU305 | |
| D | ASN340 | |
| D | ILE361 | |
| D | ASN409 | |
| A | LYS248 | |
| A | ASP252 | |
| A | ASN253 | |
| A | GLY282 | |
| A | GLU305 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | CROSSLNK: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup) => ECO:0000269|PubMed:20066036 |
| Chain | Residue | Details |
| A | LYS474 | |
| B | LYS474 | |
| C | LYS474 | |
| D | LYS474 |
