3DLA
X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003952 | molecular_function | NAD+ synthase (glutamine-hydrolyzing) activity |
| A | 0004359 | molecular_function | glutaminase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0008795 | molecular_function | NAD+ synthase activity |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| A | 0009435 | biological_process | NAD biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| A | 0042802 | molecular_function | identical protein binding |
| B | 0003952 | molecular_function | NAD+ synthase (glutamine-hydrolyzing) activity |
| B | 0004359 | molecular_function | glutaminase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0008795 | molecular_function | NAD+ synthase activity |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0009435 | biological_process | NAD biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| B | 0042802 | molecular_function | identical protein binding |
| C | 0003952 | molecular_function | NAD+ synthase (glutamine-hydrolyzing) activity |
| C | 0004359 | molecular_function | glutaminase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0008795 | molecular_function | NAD+ synthase activity |
| C | 0009274 | cellular_component | peptidoglycan-based cell wall |
| C | 0009435 | biological_process | NAD biosynthetic process |
| C | 0016874 | molecular_function | ligase activity |
| C | 0042802 | molecular_function | identical protein binding |
| D | 0003952 | molecular_function | NAD+ synthase (glutamine-hydrolyzing) activity |
| D | 0004359 | molecular_function | glutaminase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0008795 | molecular_function | NAD+ synthase activity |
| D | 0009274 | cellular_component | peptidoglycan-based cell wall |
| D | 0009435 | biological_process | NAD biosynthetic process |
| D | 0016874 | molecular_function | ligase activity |
| D | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE NXX A 680 |
| Chain | Residue |
| A | GLU485 |
| A | SER661 |
| A | HOH811 |
| A | HOH937 |
| A | HOH1074 |
| A | HOH1127 |
| D | ARG354 |
| D | LEU358 |
| D | ASN471 |
| D | GLY475 |
| D | ILE476 |
| A | TRP490 |
| D | HIS501 |
| A | SER491 |
| A | THR492 |
| A | TYR493 |
| A | ASP497 |
| A | PHE631 |
| A | PHE634 |
| A | LYS635 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE ONL A 801 |
| Chain | Residue |
| A | HOH1021 |
| A | HOH1128 |
| B | PRO125 |
| B | TYR127 |
| B | ARG128 |
| B | PHE130 |
| B | CYS176 |
| B | GLU177 |
| B | MET179 |
| B | PHE180 |
| B | SER201 |
| B | SER203 |
| B | ARG209 |
| B | ARG213 |
| B | TYR230 |
| D | MET286 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ONL A 802 |
| Chain | Residue |
| A | HOH1015 |
| C | LYS121 |
| C | PRO125 |
| C | TYR127 |
| C | PHE130 |
| C | CYS176 |
| C | GLU177 |
| C | PHE180 |
| C | ARG209 |
| C | HOH790 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ONL A 803 |
| Chain | Residue |
| A | HOH1019 |
| A | HOH1050 |
| A | HOH1082 |
| D | TYR127 |
| D | PHE130 |
| D | CYS176 |
| D | GLU177 |
| D | ARG209 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ONL A 800 |
| Chain | Residue |
| A | TYR127 |
| A | PHE130 |
| A | CYS176 |
| A | GLU177 |
| A | PHE180 |
| A | HOH1020 |
| A | HOH1125 |
| site_id | AC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE NXX B 680 |
| Chain | Residue |
| B | TRP490 |
| B | SER491 |
| B | THR492 |
| B | TYR493 |
| B | ASP497 |
| B | PHE631 |
| B | PHE634 |
| B | LYS635 |
| B | SER661 |
| B | HOH795 |
| B | HOH802 |
| B | HOH817 |
| B | HOH912 |
| C | ARG354 |
| C | LEU358 |
| C | ASN471 |
| C | GLY475 |
| C | ILE476 |
| C | HIS501 |
| C | HOH821 |
| site_id | AC7 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NXX C 680 |
| Chain | Residue |
| C | LYS635 |
| C | SER661 |
| C | HOH713 |
| C | HOH838 |
| C | HOH841 |
| C | HOH858 |
| C | HOH1032 |
| B | ARG354 |
| B | LEU358 |
| B | ASN471 |
| B | GLY475 |
| B | HIS501 |
| B | HOH841 |
| B | HOH1007 |
| C | VAL452 |
| C | GLU455 |
| C | ASN456 |
| C | GLU485 |
| C | TRP490 |
| C | SER491 |
| C | THR492 |
| C | TYR493 |
| C | ASP497 |
| C | PHE631 |
| C | PHE634 |
| site_id | AC8 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NXX D 680 |
| Chain | Residue |
| A | ARG354 |
| A | LEU358 |
| A | ASN471 |
| A | GLY475 |
| A | ILE476 |
| A | HIS501 |
| A | HOH1073 |
| D | VAL452 |
| D | GLU455 |
| D | ASN456 |
| D | TRP490 |
| D | SER491 |
| D | THR492 |
| D | TYR493 |
| D | ASP497 |
| D | PHE631 |
| D | PHE634 |
| D | LYS635 |
| D | SER661 |
| D | HOH759 |
| D | HOH827 |
| D | HOH828 |
| D | HOH845 |
| D | HOH911 |
| D | HOH978 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 804 |
| Chain | Residue |
| A | THR145 |
| A | HOH867 |
| A | HOH968 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 805 |
| Chain | Residue |
| A | TYR58 |
| A | SER59 |
| A | ILE60 |
| A | GLU61 |
| A | PHE130 |
| A | TYR131 |
| A | GLU132 |
| A | GLN135 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 681 |
| Chain | Residue |
| B | VAL367 |
| B | SER368 |
| B | PHE397 |
| B | ALA398 |
| B | LEU399 |
| B | HOH1052 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 682 |
| Chain | Residue |
| B | HIS99 |
| B | ARG100 |
| B | ILE146 |
| B | ARG147 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 683 |
| Chain | Residue |
| A | TYR127 |
| A | ARG128 |
| A | ARG285 |
| A | LEU575 |
| A | ASP656 |
| B | ASP62 |
| B | ARG134 |
| B | HOH752 |
| B | HOH921 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 684 |
| Chain | Residue |
| B | ARG268 |
| B | ARG269 |
| B | HOH1047 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 681 |
| Chain | Residue |
| C | ARG128 |
| C | ARG285 |
| C | LEU575 |
| C | ASP656 |
| C | HOH773 |
| C | HOH865 |
| C | HOH936 |
| D | ASP62 |
| D | ARG134 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 682 |
| Chain | Residue |
| C | ALA27 |
| C | ALA72 |
| C | ASP75 |
| C | ALA76 |
| C | HOH805 |
| site_id | BC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GOL C 683 |
| Chain | Residue |
| C | LEU124 |
| C | PRO125 |
| C | THR126 |
| C | TYR127 |
| C | ARG285 |
| C | GLY287 |
| C | THR288 |
| C | ASP291 |
| D | ARG102 |
| D | ARG133 |
| D | ARG134 |
| D | HOH752 |
| D | HOH943 |
| site_id | BC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 684 |
| Chain | Residue |
| C | TYR58 |
| C | SER59 |
| C | GLU61 |
| C | PHE130 |
| C | TYR131 |
| C | GLU132 |
| C | GLN135 |
| C | HOH1022 |
| site_id | CC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 681 |
| Chain | Residue |
| A | ASP62 |
| A | LEU65 |
| A | ARG134 |
| A | HOH983 |
| A | HOH1010 |
| D | ARG285 |
| D | LEU575 |
| D | ASP656 |
| D | HOH781 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 682 |
| Chain | Residue |
| A | ARG133 |
| A | ARG294 |
| B | ARG133 |
| B | PRO138 |
| D | ASP291 |
| D | ARG294 |
| D | HOH1005 |
| site_id | CC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 683 |
| Chain | Residue |
| C | ASP430 |
| C | ARG433 |
| C | LEU434 |
| C | HIS437 |
| D | ARG433 |
| D | LEU434 |
| D | HOH992 |
| D | HOH1006 |
| D | HOH1025 |
| site_id | CC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL D 684 |
| Chain | Residue |
| D | TYR58 |
| D | SER59 |
| D | ILE60 |
| D | GLU61 |
| D | PHE130 |
| D | TYR131 |
| D | GLU132 |
| D | GLN135 |
| D | HOH855 |
| D | HOH1015 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL D 685 |
| Chain | Residue |
| D | ARG268 |
| D | ARG269 |
| D | HOH1002 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor; for glutaminase activity => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0000305|PubMed:15748981, ECO:0000305|PubMed:19270703 |
| Chain | Residue | Details |
| A | GLU52 | |
| B | GLU52 | |
| C | GLU52 | |
| D | GLU52 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: For glutaminase activity => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0000305|PubMed:15748981, ECO:0000305|PubMed:19270703 |
| Chain | Residue | Details |
| A | LYS121 | |
| B | LYS121 | |
| C | LYS121 | |
| D | LYS121 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile; for glutaminase activity => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0000305|PubMed:15748981, ECO:0000305|PubMed:19270703 |
| Chain | Residue | Details |
| A | CYS176 | |
| B | CYS176 | |
| C | CYS176 | |
| D | CYS176 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0007744|PDB:3SYT |
| Chain | Residue | Details |
| A | TYR127 | |
| D | TYR127 | |
| D | SER203 | |
| D | ARG209 | |
| A | SER203 | |
| A | ARG209 | |
| B | TYR127 | |
| B | SER203 | |
| B | ARG209 | |
| C | TYR127 | |
| C | SER203 | |
| C | ARG209 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0007744|PDB:3DLA, ECO:0007744|PDB:3SEQ, ECO:0007744|PDB:3SEZ, ECO:0007744|PDB:3SYT, ECO:0007744|PDB:3SZG |
| Chain | Residue | Details |
| A | ARG354 | |
| C | ASN471 | |
| C | GLY475 | |
| C | HIS501 | |
| D | ARG354 | |
| D | ASN471 | |
| D | GLY475 | |
| D | HIS501 | |
| A | ASN471 | |
| A | GLY475 | |
| A | HIS501 | |
| B | ARG354 | |
| B | ASN471 | |
| B | GLY475 | |
| B | HIS501 | |
| C | ARG354 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0007744|PDB:3SEQ, ECO:0007744|PDB:3SEZ, ECO:0007744|PDB:3SYT, ECO:0007744|PDB:3SZG |
| Chain | Residue | Details |
| A | GLY366 | |
| B | GLY366 | |
| C | GLY366 | |
| D | GLY366 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0007744|PDB:3DLA, ECO:0007744|PDB:3SEQ, ECO:0007744|PDB:3SEZ, ECO:0007744|PDB:3SZG |
| Chain | Residue | Details |
| A | ASN456 | |
| B | ASN456 | |
| C | ASN456 | |
| D | ASN456 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0007744|PDB:3SEQ, ECO:0007744|PDB:3SYT, ECO:0007744|PDB:3SZG |
| Chain | Residue | Details |
| A | THR480 | |
| B | THR480 | |
| C | THR480 | |
| D | THR480 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0007744|PDB:3SEQ, ECO:0007744|PDB:3SEZ, ECO:0007744|PDB:3SYT |
| Chain | Residue | Details |
| A | GLU485 | |
| B | GLU485 | |
| C | GLU485 | |
| D | GLU485 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 8 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_02090, ECO:0007744|PDB:3DLA, ECO:0007744|PDB:3SEQ, ECO:0007744|PDB:3SEZ, ECO:0007744|PDB:3SYT, ECO:0007744|PDB:3SZG |
| Chain | Residue | Details |
| A | TRP490 | |
| A | LYS635 | |
| B | TRP490 | |
| B | LYS635 | |
| C | TRP490 | |
| C | LYS635 | |
| D | TRP490 | |
| D | LYS635 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 4 |
| Details | BINDING: in other chain => ECO:0007744|PDB:3DLA, ECO:0007744|PDB:3SZG |
| Chain | Residue | Details |
| A | SER661 | |
| B | SER661 | |
| C | SER661 | |
| D | SER661 |
