6C4A
Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with pyruvate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004451 | molecular_function | isocitrate lyase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006097 | biological_process | glyoxylate cycle |
| A | 0006099 | biological_process | tricarboxylic acid cycle |
| A | 0006102 | biological_process | isocitrate metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0035375 | molecular_function | zymogen binding |
| A | 0046421 | molecular_function | methylisocitrate lyase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0071456 | biological_process | cellular response to hypoxia |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004451 | molecular_function | isocitrate lyase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006097 | biological_process | glyoxylate cycle |
| B | 0006099 | biological_process | tricarboxylic acid cycle |
| B | 0006102 | biological_process | isocitrate metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0019752 | biological_process | carboxylic acid metabolic process |
| B | 0035375 | molecular_function | zymogen binding |
| B | 0046421 | molecular_function | methylisocitrate lyase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0071456 | biological_process | cellular response to hypoxia |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004451 | molecular_function | isocitrate lyase activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0005829 | cellular_component | cytosol |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0006097 | biological_process | glyoxylate cycle |
| C | 0006099 | biological_process | tricarboxylic acid cycle |
| C | 0006102 | biological_process | isocitrate metabolic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0019752 | biological_process | carboxylic acid metabolic process |
| C | 0035375 | molecular_function | zymogen binding |
| C | 0046421 | molecular_function | methylisocitrate lyase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0071456 | biological_process | cellular response to hypoxia |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004451 | molecular_function | isocitrate lyase activity |
| D | 0005576 | cellular_component | extracellular region |
| D | 0005829 | cellular_component | cytosol |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0006097 | biological_process | glyoxylate cycle |
| D | 0006099 | biological_process | tricarboxylic acid cycle |
| D | 0006102 | biological_process | isocitrate metabolic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0019752 | biological_process | carboxylic acid metabolic process |
| D | 0035375 | molecular_function | zymogen binding |
| D | 0046421 | molecular_function | methylisocitrate lyase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0071456 | biological_process | cellular response to hypoxia |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0004451 | molecular_function | isocitrate lyase activity |
| E | 0005576 | cellular_component | extracellular region |
| E | 0005829 | cellular_component | cytosol |
| E | 0005886 | cellular_component | plasma membrane |
| E | 0006097 | biological_process | glyoxylate cycle |
| E | 0006099 | biological_process | tricarboxylic acid cycle |
| E | 0006102 | biological_process | isocitrate metabolic process |
| E | 0016829 | molecular_function | lyase activity |
| E | 0019752 | biological_process | carboxylic acid metabolic process |
| E | 0035375 | molecular_function | zymogen binding |
| E | 0046421 | molecular_function | methylisocitrate lyase activity |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0071456 | biological_process | cellular response to hypoxia |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0004451 | molecular_function | isocitrate lyase activity |
| F | 0005576 | cellular_component | extracellular region |
| F | 0005829 | cellular_component | cytosol |
| F | 0005886 | cellular_component | plasma membrane |
| F | 0006097 | biological_process | glyoxylate cycle |
| F | 0006099 | biological_process | tricarboxylic acid cycle |
| F | 0006102 | biological_process | isocitrate metabolic process |
| F | 0016829 | molecular_function | lyase activity |
| F | 0019752 | biological_process | carboxylic acid metabolic process |
| F | 0035375 | molecular_function | zymogen binding |
| F | 0046421 | molecular_function | methylisocitrate lyase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0071456 | biological_process | cellular response to hypoxia |
| G | 0003824 | molecular_function | catalytic activity |
| G | 0004451 | molecular_function | isocitrate lyase activity |
| G | 0005576 | cellular_component | extracellular region |
| G | 0005829 | cellular_component | cytosol |
| G | 0005886 | cellular_component | plasma membrane |
| G | 0006097 | biological_process | glyoxylate cycle |
| G | 0006099 | biological_process | tricarboxylic acid cycle |
| G | 0006102 | biological_process | isocitrate metabolic process |
| G | 0016829 | molecular_function | lyase activity |
| G | 0019752 | biological_process | carboxylic acid metabolic process |
| G | 0035375 | molecular_function | zymogen binding |
| G | 0046421 | molecular_function | methylisocitrate lyase activity |
| G | 0046872 | molecular_function | metal ion binding |
| G | 0071456 | biological_process | cellular response to hypoxia |
| H | 0003824 | molecular_function | catalytic activity |
| H | 0004451 | molecular_function | isocitrate lyase activity |
| H | 0005576 | cellular_component | extracellular region |
| H | 0005829 | cellular_component | cytosol |
| H | 0005886 | cellular_component | plasma membrane |
| H | 0006097 | biological_process | glyoxylate cycle |
| H | 0006099 | biological_process | tricarboxylic acid cycle |
| H | 0006102 | biological_process | isocitrate metabolic process |
| H | 0016829 | molecular_function | lyase activity |
| H | 0019752 | biological_process | carboxylic acid metabolic process |
| H | 0035375 | molecular_function | zymogen binding |
| H | 0046421 | molecular_function | methylisocitrate lyase activity |
| H | 0046872 | molecular_function | metal ion binding |
| H | 0071456 | biological_process | cellular response to hypoxia |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue PYR A 501 |
| Chain | Residue |
| A | TYR89 |
| A | THR347 |
| A | MG502 |
| A | HOH611 |
| A | HOH620 |
| A | HOH650 |
| A | SER91 |
| A | GLY92 |
| A | TRP93 |
| A | ASP153 |
| A | HIS180 |
| A | EJA191 |
| A | ARG228 |
| A | TRP283 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 502 |
| Chain | Residue |
| A | ASP153 |
| A | PYR501 |
| A | HOH611 |
| A | HOH620 |
| A | HOH650 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 503 |
| Chain | Residue |
| A | ALA276 |
| A | ALA279 |
| A | GLN308 |
| A | HOH633 |
| A | HOH848 |
| A | HOH855 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue 3NP B 502 |
| Chain | Residue |
| A | TYR356 |
| A | SER357 |
| A | LEU376 |
| A | ARG379 |
| B | TYR356 |
| B | SER357 |
| B | LEU376 |
| B | ARG379 |
| B | HOH601 |
| B | HOH648 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | binding site for residue PYR B 503 |
| Chain | Residue |
| B | TYR89 |
| B | SER91 |
| B | GLY92 |
| B | TRP93 |
| B | ASP153 |
| B | HIS180 |
| B | EJA191 |
| B | ARG228 |
| B | TRP283 |
| B | THR347 |
| B | MG504 |
| B | HOH606 |
| B | HOH612 |
| B | HOH661 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 504 |
| Chain | Residue |
| B | ASP153 |
| B | PYR503 |
| B | HOH606 |
| B | HOH612 |
| B | HOH661 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 505 |
| Chain | Residue |
| B | ALA276 |
| B | ALA279 |
| B | GLN308 |
| B | HOH734 |
| B | HOH811 |
| B | HOH826 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue PEG B 506 |
| Chain | Residue |
| B | LEU63 |
| B | GLU64 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | binding site for residue PYR C 501 |
| Chain | Residue |
| C | TYR89 |
| C | SER91 |
| C | GLY92 |
| C | TRP93 |
| C | ASP153 |
| C | HIS180 |
| C | EJA191 |
| C | ARG228 |
| C | TRP283 |
| C | THR347 |
| C | MG502 |
| C | HOH619 |
| C | HOH625 |
| C | HOH634 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 502 |
| Chain | Residue |
| C | ASP153 |
| C | PYR501 |
| C | HOH619 |
| C | HOH625 |
| C | HOH634 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 503 |
| Chain | Residue |
| C | ALA276 |
| C | ALA279 |
| C | GLN308 |
| C | HOH744 |
| C | HOH819 |
| C | HOH872 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue PEG C 504 |
| Chain | Residue |
| C | TRP65 |
| C | HOH678 |
| site_id | AD4 |
| Number of Residues | 10 |
| Details | binding site for residue 3NP C 505 |
| Chain | Residue |
| C | TYR356 |
| C | SER357 |
| C | ARG379 |
| C | HOH601 |
| C | HOH626 |
| D | TYR356 |
| D | SER357 |
| D | LEU376 |
| D | ARG379 |
| D | HOH646 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue PYR D 501 |
| Chain | Residue |
| D | TYR89 |
| D | SER91 |
| D | GLY92 |
| D | TRP93 |
| D | ASP153 |
| D | HIS180 |
| D | EJA191 |
| D | ARG228 |
| D | TRP283 |
| D | THR347 |
| D | MG502 |
| D | HOH605 |
| D | HOH612 |
| D | HOH653 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 502 |
| Chain | Residue |
| D | ASP153 |
| D | PYR501 |
| D | HOH605 |
| D | HOH612 |
| D | HOH653 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 503 |
| Chain | Residue |
| D | ALA276 |
| D | ALA279 |
| D | GLN308 |
| D | HOH771 |
| D | HOH836 |
| D | HOH849 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue PEG D 504 |
| Chain | Residue |
| C | ALA366 |
| C | GLN369 |
| D | TRP65 |
| site_id | AD9 |
| Number of Residues | 14 |
| Details | binding site for residue PYR E 501 |
| Chain | Residue |
| E | TYR89 |
| E | SER91 |
| E | GLY92 |
| E | TRP93 |
| E | ASP153 |
| E | HIS180 |
| E | EJA191 |
| E | ARG228 |
| E | TRP283 |
| E | THR347 |
| E | MG502 |
| E | HOH608 |
| E | HOH636 |
| E | HOH664 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue MG E 502 |
| Chain | Residue |
| E | ASP153 |
| E | PYR501 |
| E | HOH608 |
| E | HOH636 |
| E | HOH664 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue MG E 503 |
| Chain | Residue |
| E | ALA276 |
| E | ALA279 |
| E | GLN308 |
| E | HOH662 |
| E | HOH920 |
| E | HOH928 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue PEG E 504 |
| Chain | Residue |
| E | TRP65 |
| F | GLN367 |
| F | GLN369 |
| site_id | AE4 |
| Number of Residues | 8 |
| Details | binding site for residue EPE F 501 |
| Chain | Residue |
| E | TYR356 |
| F | TYR356 |
| F | SER357 |
| F | ASP360 |
| F | ARG379 |
| F | HOH601 |
| F | HOH734 |
| F | HOH754 |
| site_id | AE5 |
| Number of Residues | 14 |
| Details | binding site for residue PYR F 502 |
| Chain | Residue |
| F | TYR89 |
| F | SER91 |
| F | GLY92 |
| F | TRP93 |
| F | ASP153 |
| F | HIS180 |
| F | EJA191 |
| F | ARG228 |
| F | TRP283 |
| F | THR347 |
| F | MG503 |
| F | HOH620 |
| F | HOH629 |
| F | HOH643 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue MG F 503 |
| Chain | Residue |
| F | ASP153 |
| F | PYR502 |
| F | HOH620 |
| F | HOH629 |
| F | HOH643 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue MG F 504 |
| Chain | Residue |
| F | HOH624 |
| F | HOH667 |
| F | HOH829 |
| F | HOH933 |
| G | HOH808 |
| G | HOH893 |
| site_id | AE8 |
| Number of Residues | 6 |
| Details | binding site for residue MG F 505 |
| Chain | Residue |
| F | ALA276 |
| F | ALA279 |
| F | GLN308 |
| F | HOH692 |
| F | HOH910 |
| F | HOH914 |
| site_id | AE9 |
| Number of Residues | 3 |
| Details | binding site for residue PEG F 506 |
| Chain | Residue |
| F | LEU63 |
| F | TRP65 |
| F | ASN67 |
| site_id | AF1 |
| Number of Residues | 14 |
| Details | binding site for residue PYR G 501 |
| Chain | Residue |
| G | TYR89 |
| G | SER91 |
| G | GLY92 |
| G | TRP93 |
| G | ASP153 |
| G | HIS180 |
| G | EJA191 |
| G | ARG228 |
| G | TRP283 |
| G | THR347 |
| G | MG502 |
| G | HOH603 |
| G | HOH629 |
| G | HOH680 |
| site_id | AF2 |
| Number of Residues | 5 |
| Details | binding site for residue MG G 502 |
| Chain | Residue |
| G | ASP153 |
| G | PYR501 |
| G | HOH603 |
| G | HOH629 |
| G | HOH680 |
| site_id | AF3 |
| Number of Residues | 7 |
| Details | binding site for residue EPE G 503 |
| Chain | Residue |
| G | SER357 |
| G | ARG379 |
| G | HOH662 |
| H | TYR356 |
| H | SER357 |
| H | ARG379 |
| H | HOH746 |
| site_id | AF4 |
| Number of Residues | 6 |
| Details | binding site for residue MG G 504 |
| Chain | Residue |
| G | ALA276 |
| G | ALA279 |
| G | GLN308 |
| G | HOH606 |
| G | HOH895 |
| G | HOH906 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue PEG G 505 |
| Chain | Residue |
| G | GLU64 |
| G | TRP65 |
| G | LYS334 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue MG G 506 |
| Chain | Residue |
| E | HOH907 |
| G | HOH739 |
| H | HOH643 |
| H | HOH895 |
| H | HOH911 |
| site_id | AF7 |
| Number of Residues | 5 |
| Details | binding site for residue MG H 501 |
| Chain | Residue |
| E | HOH910 |
| H | ASP34 |
| H | HOH624 |
| H | HOH736 |
| H | HOH762 |
| site_id | AF8 |
| Number of Residues | 14 |
| Details | binding site for residue PYR H 502 |
| Chain | Residue |
| H | TYR89 |
| H | SER91 |
| H | GLY92 |
| H | TRP93 |
| H | ASP153 |
| H | HIS180 |
| H | EJA191 |
| H | ARG228 |
| H | TRP283 |
| H | THR347 |
| H | MG503 |
| H | HOH605 |
| H | HOH648 |
| H | HOH652 |
| site_id | AF9 |
| Number of Residues | 5 |
| Details | binding site for residue MG H 503 |
| Chain | Residue |
| H | ASP153 |
| H | PYR502 |
| H | HOH605 |
| H | HOH648 |
| H | HOH652 |
| site_id | AG1 |
| Number of Residues | 6 |
| Details | binding site for residue MG H 504 |
| Chain | Residue |
| F | HOH965 |
| G | HOH953 |
| H | HOH640 |
| H | HOH696 |
| H | HOH698 |
| H | HOH856 |
| site_id | AG2 |
| Number of Residues | 6 |
| Details | binding site for residue MG H 505 |
| Chain | Residue |
| H | ALA276 |
| H | ALA279 |
| H | GLN308 |
| H | HOH645 |
| H | HOH877 |
| H | HOH896 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue PEG H 506 |
| Chain | Residue |
| H | TRP65 |
| H | ASN67 |
| H | HOH777 |
| H | HOH843 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:24354272 |
| Chain | Residue | Details |
| A | EJA191 | |
| B | EJA191 | |
| C | EJA191 | |
| D | EJA191 | |
| E | EJA191 | |
| F | EJA191 | |
| G | EJA191 | |
| H | EJA191 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10932251 |
| Chain | Residue | Details |
| A | SER91 | |
| B | ARG228 | |
| B | ASN313 | |
| B | THR347 | |
| C | SER91 | |
| C | ASP153 | |
| C | GLY192 | |
| C | ARG228 | |
| C | ASN313 | |
| C | THR347 | |
| D | SER91 | |
| A | ASP153 | |
| D | ASP153 | |
| D | GLY192 | |
| D | ARG228 | |
| D | ASN313 | |
| D | THR347 | |
| E | SER91 | |
| E | ASP153 | |
| E | GLY192 | |
| E | ARG228 | |
| E | ASN313 | |
| A | GLY192 | |
| E | THR347 | |
| F | SER91 | |
| F | ASP153 | |
| F | GLY192 | |
| F | ARG228 | |
| F | ASN313 | |
| F | THR347 | |
| G | SER91 | |
| G | ASP153 | |
| G | GLY192 | |
| A | ARG228 | |
| G | ARG228 | |
| G | ASN313 | |
| G | THR347 | |
| H | SER91 | |
| H | ASP153 | |
| H | GLY192 | |
| H | ARG228 | |
| H | ASN313 | |
| H | THR347 | |
| A | ASN313 | |
| A | THR347 | |
| B | SER91 | |
| B | ASP153 | |
| B | GLY192 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | CROSSLNK: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup) => ECO:0000269|PubMed:20066036 |
| Chain | Residue | Details |
| A | LYS334 | |
| F | LYS334 | |
| G | LYS334 | |
| H | LYS334 | |
| B | LYS334 | |
| C | LYS334 | |
| D | LYS334 | |
| E | LYS334 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| A | ASP153 | metal ligand |
| A | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| A | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| A | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| A | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| A | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| B | ASP153 | metal ligand |
| B | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| B | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| B | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| B | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| B | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| B | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA3 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| C | ASP153 | metal ligand |
| C | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| C | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| C | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| C | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| C | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| C | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA4 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| D | ASP153 | metal ligand |
| D | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| D | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| D | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| D | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| D | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| D | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA5 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| E | ASP153 | metal ligand |
| E | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| E | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| E | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| E | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| E | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| E | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA6 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| F | ASP153 | metal ligand |
| F | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| F | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| F | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| F | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| F | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| F | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA7 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| G | ASP153 | metal ligand |
| G | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| G | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| G | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| G | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| G | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| G | LYS321 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA8 |
| Number of Residues | 7 |
| Details | M-CSA 272 |
| Chain | Residue | Details |
| H | ASP153 | metal ligand |
| H | HIS180 | electrostatic stabiliser, hydrogen bond donor |
| H | EJA191 | covalent catalysis, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay, proton shuttle (general acid/base) |
| H | LYS197 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton shuttle (general acid/base) |
| H | GLU232 | electrostatic stabiliser, hydrogen bond donor |
| H | ASN319 | electrostatic stabiliser, hydrogen bond donor |
| H | LYS321 | electrostatic stabiliser, hydrogen bond donor |
