5UTU
2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
A | 0004013 | molecular_function | adenosylhomocysteinase activity |
A | 0005829 | cellular_component | cytosol |
A | 0006730 | biological_process | one-carbon metabolic process |
A | 0016787 | molecular_function | hydrolase activity |
A | 0033353 | biological_process | S-adenosylmethionine cycle |
B | 0000166 | molecular_function | nucleotide binding |
B | 0004013 | molecular_function | adenosylhomocysteinase activity |
B | 0005829 | cellular_component | cytosol |
B | 0006730 | biological_process | one-carbon metabolic process |
B | 0016787 | molecular_function | hydrolase activity |
B | 0033353 | biological_process | S-adenosylmethionine cycle |
C | 0000166 | molecular_function | nucleotide binding |
C | 0004013 | molecular_function | adenosylhomocysteinase activity |
C | 0005829 | cellular_component | cytosol |
C | 0006730 | biological_process | one-carbon metabolic process |
C | 0016787 | molecular_function | hydrolase activity |
C | 0033353 | biological_process | S-adenosylmethionine cycle |
D | 0000166 | molecular_function | nucleotide binding |
D | 0004013 | molecular_function | adenosylhomocysteinase activity |
D | 0005829 | cellular_component | cytosol |
D | 0006730 | biological_process | one-carbon metabolic process |
D | 0016787 | molecular_function | hydrolase activity |
D | 0033353 | biological_process | S-adenosylmethionine cycle |
E | 0000166 | molecular_function | nucleotide binding |
E | 0004013 | molecular_function | adenosylhomocysteinase activity |
E | 0005829 | cellular_component | cytosol |
E | 0006730 | biological_process | one-carbon metabolic process |
E | 0016787 | molecular_function | hydrolase activity |
E | 0033353 | biological_process | S-adenosylmethionine cycle |
F | 0000166 | molecular_function | nucleotide binding |
F | 0004013 | molecular_function | adenosylhomocysteinase activity |
F | 0005829 | cellular_component | cytosol |
F | 0006730 | biological_process | one-carbon metabolic process |
F | 0016787 | molecular_function | hydrolase activity |
F | 0033353 | biological_process | S-adenosylmethionine cycle |
G | 0000166 | molecular_function | nucleotide binding |
G | 0004013 | molecular_function | adenosylhomocysteinase activity |
G | 0005829 | cellular_component | cytosol |
G | 0006730 | biological_process | one-carbon metabolic process |
G | 0016787 | molecular_function | hydrolase activity |
G | 0033353 | biological_process | S-adenosylmethionine cycle |
H | 0000166 | molecular_function | nucleotide binding |
H | 0004013 | molecular_function | adenosylhomocysteinase activity |
H | 0005829 | cellular_component | cytosol |
H | 0006730 | biological_process | one-carbon metabolic process |
H | 0016787 | molecular_function | hydrolase activity |
H | 0033353 | biological_process | S-adenosylmethionine cycle |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 33 |
Details | binding site for residue NAD A 501 |
Chain | Residue |
A | THR212 |
A | THR297 |
A | GLU298 |
A | ILE299 |
A | ASP300 |
A | CYS303 |
A | THR331 |
A | GLY332 |
A | ASN333 |
A | VAL336 |
A | ILE354 |
A | THR213 |
A | GLY355 |
A | HIS356 |
A | ASN403 |
A | HIS410 |
A | SAH502 |
A | HOH621 |
A | HOH668 |
A | HOH675 |
A | HOH681 |
A | HOH725 |
A | THR214 |
A | HOH729 |
B | GLN476 |
B | LYS489 |
B | TYR493 |
A | ASN246 |
A | CYS250 |
A | GLY275 |
A | GLY277 |
A | GLU278 |
A | VAL279 |
site_id | AC2 |
Number of Residues | 21 |
Details | binding site for residue SAH A 502 |
Chain | Residue |
A | LEU52 |
A | HIS53 |
A | THR55 |
A | GLU57 |
A | THR58 |
A | CYS77 |
A | ASN78 |
A | ASP137 |
A | GLU211 |
A | THR212 |
A | LYS241 |
A | ASP245 |
A | HIS356 |
A | PHE357 |
A | LEU401 |
A | THR408 |
A | HIS410 |
A | MET415 |
A | PHE419 |
A | NAD501 |
A | HOH643 |
site_id | AC3 |
Number of Residues | 2 |
Details | binding site for residue CL A 503 |
Chain | Residue |
A | ARG35 |
A | HOH752 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue SO4 A 504 |
Chain | Residue |
A | LYS2 |
A | MET3 |
A | GLU4 |
A | ARG6 |
site_id | AC5 |
Number of Residues | 1 |
Details | binding site for residue SO4 A 505 |
Chain | Residue |
A | ILE7 |
site_id | AC6 |
Number of Residues | 2 |
Details | binding site for residue SO4 A 506 |
Chain | Residue |
A | LYS2 |
A | ARG6 |
site_id | AC7 |
Number of Residues | 4 |
Details | binding site for residue SO4 A 507 |
Chain | Residue |
A | LYS270 |
A | ARG293 |
C | GLN313 |
C | HOH672 |
site_id | AC8 |
Number of Residues | 3 |
Details | binding site for residue P33 A 508 |
Chain | Residue |
A | ASN481 |
A | VAL482 |
A | LYS489 |
site_id | AC9 |
Number of Residues | 34 |
Details | binding site for residue NAD B 501 |
Chain | Residue |
B | HOH616 |
B | HOH625 |
B | HOH635 |
B | HOH666 |
B | HOH672 |
A | GLN476 |
A | LYS489 |
A | TYR493 |
A | HOH652 |
B | THR212 |
B | THR213 |
B | THR214 |
B | ASN246 |
B | CYS250 |
B | GLY275 |
B | GLY277 |
B | GLU278 |
B | VAL279 |
B | THR297 |
B | GLU298 |
B | ILE299 |
B | ASP300 |
B | CYS303 |
B | THR331 |
B | GLY332 |
B | ASN333 |
B | VAL336 |
B | ILE354 |
B | GLY355 |
B | HIS356 |
B | LEU401 |
B | ASN403 |
B | HIS410 |
B | SAH502 |
site_id | AD1 |
Number of Residues | 20 |
Details | binding site for residue SAH B 502 |
Chain | Residue |
B | HIS53 |
B | THR55 |
B | GLU57 |
B | THR58 |
B | CYS77 |
B | ASN78 |
B | ASP137 |
B | GLU211 |
B | THR212 |
B | LYS241 |
B | ASP245 |
B | PHE357 |
B | LEU401 |
B | THR408 |
B | GLY409 |
B | HIS410 |
B | MET415 |
B | PHE419 |
B | NAD501 |
B | HOH601 |
site_id | AD2 |
Number of Residues | 2 |
Details | binding site for residue CL B 503 |
Chain | Residue |
B | LYS270 |
B | ARG293 |
site_id | AD3 |
Number of Residues | 1 |
Details | binding site for residue CL B 504 |
Chain | Residue |
B | HOH682 |
site_id | AD4 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 505 |
Chain | Residue |
B | MET3 |
B | GLU4 |
B | ARG6 |
site_id | AD5 |
Number of Residues | 1 |
Details | binding site for residue SO4 B 506 |
Chain | Residue |
B | TRP101 |
site_id | AD6 |
Number of Residues | 2 |
Details | binding site for residue P33 B 507 |
Chain | Residue |
B | ASN481 |
B | PRO487 |
site_id | AD7 |
Number of Residues | 28 |
Details | binding site for residue NAD C 501 |
Chain | Residue |
C | THR213 |
C | THR214 |
C | ASN246 |
C | GLY277 |
C | GLU278 |
C | VAL279 |
C | THR297 |
C | GLU298 |
C | ILE299 |
C | ASP300 |
C | CYS303 |
C | THR331 |
C | GLY332 |
C | ASN333 |
C | VAL336 |
C | ILE354 |
C | GLY355 |
C | HIS356 |
C | LEU401 |
C | ASN403 |
C | HIS410 |
C | SAH502 |
C | HOH642 |
C | HOH669 |
C | HOH682 |
D | GLN476 |
D | LYS489 |
D | TYR493 |
site_id | AD8 |
Number of Residues | 20 |
Details | binding site for residue SAH C 502 |
Chain | Residue |
C | LEU52 |
C | HIS53 |
C | THR55 |
C | GLU57 |
C | THR58 |
C | CYS77 |
C | ASN78 |
C | ASP137 |
C | GLU211 |
C | THR212 |
C | LYS241 |
C | ASP245 |
C | HIS356 |
C | PHE357 |
C | LEU401 |
C | THR408 |
C | HIS410 |
C | MET415 |
C | NAD501 |
C | HOH620 |
site_id | AD9 |
Number of Residues | 2 |
Details | binding site for residue CL C 503 |
Chain | Residue |
C | GLU491 |
D | HOH692 |
site_id | AE1 |
Number of Residues | 4 |
Details | binding site for residue SO4 C 504 |
Chain | Residue |
C | LYS2 |
C | MET3 |
C | GLU4 |
C | ARG6 |
site_id | AE2 |
Number of Residues | 4 |
Details | binding site for residue SO4 C 505 |
Chain | Residue |
A | GLN313 |
C | LYS270 |
C | ARG293 |
C | HOH672 |
site_id | AE3 |
Number of Residues | 3 |
Details | binding site for residue SO4 C 506 |
Chain | Residue |
C | ILE7 |
C | HOH633 |
C | HOH667 |
site_id | AE4 |
Number of Residues | 1 |
Details | binding site for residue SO4 C 507 |
Chain | Residue |
C | ARG343 |
site_id | AE5 |
Number of Residues | 30 |
Details | binding site for residue NAD D 501 |
Chain | Residue |
C | GLN476 |
C | LYS489 |
C | TYR493 |
D | THR212 |
D | THR213 |
D | THR214 |
D | ASN246 |
D | GLY275 |
D | GLY277 |
D | GLU278 |
D | VAL279 |
D | THR297 |
D | GLU298 |
D | ILE299 |
D | ASP300 |
D | CYS303 |
D | THR331 |
D | GLY332 |
D | ASN333 |
D | VAL336 |
D | ILE354 |
D | GLY355 |
D | HIS356 |
D | ASN403 |
D | HIS410 |
D | SAH502 |
D | HOH628 |
D | HOH636 |
D | HOH647 |
D | HOH664 |
site_id | AE6 |
Number of Residues | 22 |
Details | binding site for residue SAH D 502 |
Chain | Residue |
D | LEU52 |
D | HIS53 |
D | THR55 |
D | GLU57 |
D | THR58 |
D | ASN78 |
D | ASP137 |
D | GLY138 |
D | GLU211 |
D | THR212 |
D | LYS241 |
D | ASP245 |
D | HIS356 |
D | PHE357 |
D | LEU401 |
D | THR408 |
D | GLY409 |
D | HIS410 |
D | MET415 |
D | PHE419 |
D | NAD501 |
D | HOH615 |
site_id | AE7 |
Number of Residues | 1 |
Details | binding site for residue CL D 503 |
Chain | Residue |
D | ARG35 |
site_id | AE8 |
Number of Residues | 1 |
Details | binding site for residue SO4 D 504 |
Chain | Residue |
D | ILE7 |
site_id | AE9 |
Number of Residues | 4 |
Details | binding site for residue SO4 D 505 |
Chain | Residue |
D | LYS270 |
D | ARG293 |
D | HOH613 |
D | HOH670 |
site_id | AF1 |
Number of Residues | 3 |
Details | binding site for residue SO4 D 506 |
Chain | Residue |
D | GLN83 |
D | ASP84 |
D | HIS85 |
site_id | AF2 |
Number of Residues | 4 |
Details | binding site for residue P6G D 507 |
Chain | Residue |
C | LEU217 |
D | ASN481 |
D | VAL482 |
D | LYS489 |
site_id | AF3 |
Number of Residues | 29 |
Details | binding site for residue NAD E 501 |
Chain | Residue |
E | THR213 |
E | THR214 |
E | ASN246 |
E | GLY277 |
E | GLU278 |
E | VAL279 |
E | THR297 |
E | GLU298 |
E | ILE299 |
E | ASP300 |
E | CYS303 |
E | THR331 |
E | GLY332 |
E | ASN333 |
E | VAL336 |
E | ILE354 |
E | GLY355 |
E | HIS356 |
E | ASN403 |
E | HIS410 |
E | SAH502 |
E | HOH611 |
E | HOH621 |
E | HOH667 |
E | HOH690 |
E | HOH718 |
F | GLN476 |
F | LYS489 |
F | TYR493 |
site_id | AF4 |
Number of Residues | 20 |
Details | binding site for residue SAH E 502 |
Chain | Residue |
E | LEU52 |
E | HIS53 |
E | THR55 |
E | GLU57 |
E | THR58 |
E | CYS77 |
E | ASN78 |
E | ASP137 |
E | GLU211 |
E | THR212 |
E | LYS241 |
E | ASP245 |
E | HIS356 |
E | PHE357 |
E | LEU401 |
E | THR408 |
E | HIS410 |
E | MET415 |
E | PHE419 |
E | NAD501 |
site_id | AF5 |
Number of Residues | 1 |
Details | binding site for residue CL E 503 |
Chain | Residue |
E | ARG343 |
site_id | AF6 |
Number of Residues | 1 |
Details | binding site for residue CL E 504 |
Chain | Residue |
E | ARG35 |
site_id | AF7 |
Number of Residues | 4 |
Details | binding site for residue SO4 E 505 |
Chain | Residue |
E | LYS2 |
E | MET3 |
E | GLU4 |
E | ARG6 |
site_id | AF8 |
Number of Residues | 6 |
Details | binding site for residue SO4 E 506 |
Chain | Residue |
E | LYS270 |
E | ARG293 |
E | HOH613 |
E | HOH680 |
E | HOH717 |
G | GLN313 |
site_id | AF9 |
Number of Residues | 34 |
Details | binding site for residue NAD F 501 |
Chain | Residue |
E | GLN476 |
E | LYS489 |
E | TYR493 |
F | THR212 |
F | THR213 |
F | THR214 |
F | ASN246 |
F | GLY275 |
F | GLY277 |
F | GLU278 |
F | VAL279 |
F | THR297 |
F | GLU298 |
F | ILE299 |
F | ASP300 |
F | CYS303 |
F | ALA330 |
F | THR331 |
F | GLY332 |
F | ASN333 |
F | VAL336 |
F | ILE354 |
F | GLY355 |
F | HIS356 |
F | LEU401 |
F | ASN403 |
F | HIS410 |
F | SAH502 |
F | ADN503 |
F | HOH645 |
F | HOH650 |
F | HOH664 |
F | HOH667 |
F | HOH674 |
site_id | AG1 |
Number of Residues | 21 |
Details | binding site for residue SAH F 502 |
Chain | Residue |
F | LEU52 |
F | HIS53 |
F | THR55 |
F | GLU57 |
F | THR58 |
F | CYS77 |
F | ASN78 |
F | ASP137 |
F | GLU211 |
F | THR212 |
F | LYS241 |
F | ASP245 |
F | HIS356 |
F | PHE357 |
F | LEU401 |
F | THR408 |
F | HIS410 |
F | MET415 |
F | PHE419 |
F | NAD501 |
F | ADN503 |
site_id | AG2 |
Number of Residues | 18 |
Details | binding site for residue ADN F 503 |
Chain | Residue |
F | LEU52 |
F | HIS53 |
F | THR55 |
F | GLU57 |
F | THR58 |
F | ASP137 |
F | GLU211 |
F | THR212 |
F | LYS241 |
F | ASP245 |
F | HIS356 |
F | LEU404 |
F | THR408 |
F | GLY409 |
F | HIS410 |
F | MET415 |
F | NAD501 |
F | SAH502 |
site_id | AG3 |
Number of Residues | 1 |
Details | binding site for residue CL F 504 |
Chain | Residue |
F | TYR164 |
site_id | AG4 |
Number of Residues | 4 |
Details | binding site for residue SO4 F 506 |
Chain | Residue |
F | LYS270 |
F | ARG293 |
F | HOH621 |
H | GLN313 |
site_id | AG5 |
Number of Residues | 4 |
Details | binding site for residue P6G F 507 |
Chain | Residue |
E | LEU217 |
F | ASN481 |
F | PRO487 |
F | LYS489 |
site_id | AG6 |
Number of Residues | 31 |
Details | binding site for residue NAD G 501 |
Chain | Residue |
G | THR213 |
G | THR214 |
G | ASN246 |
G | CYS250 |
G | GLY275 |
G | GLY277 |
G | GLU278 |
G | VAL279 |
G | THR297 |
G | GLU298 |
G | ILE299 |
G | ASP300 |
G | CYS303 |
G | THR331 |
G | GLY332 |
G | ASN333 |
G | VAL336 |
G | ILE354 |
G | GLY355 |
G | HIS356 |
G | LEU401 |
G | ASN403 |
G | HIS410 |
G | SAH502 |
G | HOH647 |
G | HOH653 |
G | HOH670 |
G | HOH681 |
H | GLN476 |
H | LYS489 |
H | TYR493 |
site_id | AG7 |
Number of Residues | 21 |
Details | binding site for residue SAH G 502 |
Chain | Residue |
G | LEU52 |
G | HIS53 |
G | THR55 |
G | GLU57 |
G | THR58 |
G | CYS77 |
G | ASN78 |
G | ASP137 |
G | GLU211 |
G | THR212 |
G | LYS241 |
G | ASP245 |
G | HIS356 |
G | PHE357 |
G | LEU401 |
G | THR408 |
G | HIS410 |
G | MET415 |
G | PHE419 |
G | NAD501 |
G | HOH707 |
site_id | AG8 |
Number of Residues | 1 |
Details | binding site for residue CL G 503 |
Chain | Residue |
G | ARG35 |
site_id | AG9 |
Number of Residues | 2 |
Details | binding site for residue CL G 504 |
Chain | Residue |
G | LYS2 |
G | ARG6 |
site_id | AH1 |
Number of Residues | 4 |
Details | binding site for residue SO4 G 505 |
Chain | Residue |
G | LYS2 |
G | MET3 |
G | GLU4 |
G | ARG6 |
site_id | AH2 |
Number of Residues | 4 |
Details | binding site for residue SO4 G 506 |
Chain | Residue |
E | GLN313 |
G | LYS270 |
G | ARG293 |
G | HOH680 |
site_id | AH3 |
Number of Residues | 1 |
Details | binding site for residue SO4 G 507 |
Chain | Residue |
G | LYS8 |
site_id | AH4 |
Number of Residues | 3 |
Details | binding site for residue PEG G 508 |
Chain | Residue |
G | ASN481 |
G | VAL482 |
G | PRO487 |
site_id | AH5 |
Number of Residues | 2 |
Details | binding site for residue PEG G 509 |
Chain | Residue |
G | ASN481 |
G | SER483 |
site_id | AH6 |
Number of Residues | 32 |
Details | binding site for residue NAD H 501 |
Chain | Residue |
G | GLN476 |
G | LYS489 |
G | TYR493 |
H | THR212 |
H | THR213 |
H | THR214 |
H | ASN246 |
H | GLY275 |
H | GLY277 |
H | GLU278 |
H | VAL279 |
H | THR297 |
H | GLU298 |
H | ILE299 |
H | ASP300 |
H | CYS303 |
H | THR331 |
H | GLY332 |
H | ASN333 |
H | VAL336 |
H | ILE354 |
H | GLY355 |
H | HIS356 |
H | ASN403 |
H | HIS410 |
H | SAH502 |
H | ADN503 |
H | HOH626 |
H | HOH636 |
H | HOH640 |
H | HOH653 |
H | HOH678 |
site_id | AH7 |
Number of Residues | 21 |
Details | binding site for residue SAH H 502 |
Chain | Residue |
H | LEU52 |
H | HIS53 |
H | THR55 |
H | GLU57 |
H | THR58 |
H | CYS77 |
H | ASN78 |
H | ASP137 |
H | GLU211 |
H | THR212 |
H | LYS241 |
H | ASP245 |
H | HIS356 |
H | PHE357 |
H | LEU401 |
H | THR408 |
H | HIS410 |
H | MET415 |
H | NAD501 |
H | ADN503 |
H | HOH608 |
site_id | AH8 |
Number of Residues | 17 |
Details | binding site for residue ADN H 503 |
Chain | Residue |
H | HIS53 |
H | THR55 |
H | GLU57 |
H | THR58 |
H | ASP137 |
H | GLU211 |
H | THR212 |
H | LYS241 |
H | ASP245 |
H | HIS356 |
H | THR408 |
H | GLY409 |
H | HIS410 |
H | MET415 |
H | PHE419 |
H | NAD501 |
H | SAH502 |
site_id | AH9 |
Number of Residues | 4 |
Details | binding site for residue SO4 H 506 |
Chain | Residue |
F | GLN313 |
H | LYS270 |
H | ARG293 |
H | HOH644 |
site_id | AI1 |
Number of Residues | 3 |
Details | binding site for residue P33 H 507 |
Chain | Residue |
G | LEU217 |
H | ASN481 |
H | PRO487 |
Functional Information from PROSITE/UniProt
site_id | PS00738 |
Number of Residues | 15 |
Details | ADOHCYASE_1 S-adenosyl-L-homocysteine hydrolase signature 1. SCNiYSTQDhAAAAL |
Chain | Residue | Details |
A | SER76-LEU90 |
site_id | PS00739 |
Number of Residues | 17 |
Details | ADOHCYASE_2 S-adenosyl-L-homocysteine hydrolase signature 2. GKkivVlGYGeVGKGc.A |
Chain | Residue | Details |
A | GLY268-ALA284 |