2H12
Structure of Acetobacter aceti citrate synthase complexed with oxaloacetate and carboxymethyldethia coenzyme A (CMX)
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0004108 | molecular_function | citrate (Si)-synthase activity |
A | 0005737 | cellular_component | cytoplasm |
A | 0006099 | biological_process | tricarboxylic acid cycle |
A | 0016740 | molecular_function | transferase activity |
A | 0036440 | molecular_function | citrate synthase activity |
A | 0046912 | molecular_function | acyltransferase activity, acyl groups converted into alkyl on transfer |
B | 0003824 | molecular_function | catalytic activity |
B | 0004108 | molecular_function | citrate (Si)-synthase activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0006099 | biological_process | tricarboxylic acid cycle |
B | 0016740 | molecular_function | transferase activity |
B | 0036440 | molecular_function | citrate synthase activity |
B | 0046912 | molecular_function | acyltransferase activity, acyl groups converted into alkyl on transfer |
C | 0003824 | molecular_function | catalytic activity |
C | 0004108 | molecular_function | citrate (Si)-synthase activity |
C | 0005737 | cellular_component | cytoplasm |
C | 0006099 | biological_process | tricarboxylic acid cycle |
C | 0016740 | molecular_function | transferase activity |
C | 0036440 | molecular_function | citrate synthase activity |
C | 0046912 | molecular_function | acyltransferase activity, acyl groups converted into alkyl on transfer |
D | 0003824 | molecular_function | catalytic activity |
D | 0004108 | molecular_function | citrate (Si)-synthase activity |
D | 0005737 | cellular_component | cytoplasm |
D | 0006099 | biological_process | tricarboxylic acid cycle |
D | 0016740 | molecular_function | transferase activity |
D | 0036440 | molecular_function | citrate synthase activity |
D | 0046912 | molecular_function | acyltransferase activity, acyl groups converted into alkyl on transfer |
E | 0003824 | molecular_function | catalytic activity |
E | 0004108 | molecular_function | citrate (Si)-synthase activity |
E | 0005737 | cellular_component | cytoplasm |
E | 0006099 | biological_process | tricarboxylic acid cycle |
E | 0016740 | molecular_function | transferase activity |
E | 0036440 | molecular_function | citrate synthase activity |
E | 0046912 | molecular_function | acyltransferase activity, acyl groups converted into alkyl on transfer |
F | 0003824 | molecular_function | catalytic activity |
F | 0004108 | molecular_function | citrate (Si)-synthase activity |
F | 0005737 | cellular_component | cytoplasm |
F | 0006099 | biological_process | tricarboxylic acid cycle |
F | 0016740 | molecular_function | transferase activity |
F | 0036440 | molecular_function | citrate synthase activity |
F | 0046912 | molecular_function | acyltransferase activity, acyl groups converted into alkyl on transfer |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE OAA A 5007 |
Chain | Residue |
A | HIS237 |
B | ARG417 |
A | ASN240 |
A | HIS272 |
A | HIS313 |
A | ARG322 |
A | ARG396 |
A | CMX5001 |
A | HOH5086 |
A | HOH5104 |
site_id | AC2 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE OAA B 5008 |
Chain | Residue |
A | ARG417 |
B | HIS237 |
B | ASN240 |
B | HIS272 |
B | HIS313 |
B | ARG322 |
B | PHE392 |
B | ARG396 |
B | CMX5002 |
B | HOH5055 |
B | HOH5083 |
site_id | AC3 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE OAA C 5009 |
Chain | Residue |
C | HIS237 |
C | ASN240 |
C | HIS272 |
C | HIS313 |
C | ARG322 |
C | PHE392 |
C | ARG396 |
C | CMX5003 |
C | HOH5057 |
C | HOH5114 |
D | ARG417 |
site_id | AC4 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE OAA D 5010 |
Chain | Residue |
C | ARG417 |
D | HIS237 |
D | ASN240 |
D | HIS272 |
D | HIS313 |
D | ARG322 |
D | PHE392 |
D | ARG396 |
D | CMX5004 |
D | HOH5077 |
D | HOH5079 |
site_id | AC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE OAA E 5011 |
Chain | Residue |
E | HIS237 |
E | ASN240 |
E | HIS272 |
E | HIS313 |
E | ARG322 |
E | PHE392 |
E | ARG396 |
E | CMX5005 |
E | HOH5075 |
E | HOH5104 |
F | ARG417 |
site_id | AC6 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE OAA F 5012 |
Chain | Residue |
E | ARG417 |
F | HIS237 |
F | ASN240 |
F | HIS272 |
F | HIS313 |
F | ARG322 |
F | ARG396 |
F | CMX5006 |
F | HOH5072 |
F | HOH5082 |
site_id | AC7 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE SO4 B 5013 |
Chain | Residue |
A | ARG419 |
B | PRO33 |
B | ILE67 |
B | GLY69 |
B | ASP70 |
B | HOH5131 |
B | HOH5162 |
B | HOH5370 |
B | HOH5404 |
B | HOH5461 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 5014 |
Chain | Residue |
A | HIS118 |
A | TYR153 |
A | ARG171 |
A | LYS175 |
A | HOH5171 |
A | HOH5487 |
site_id | AC9 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SO4 A 5015 |
Chain | Residue |
A | PRO33 |
A | GLY69 |
A | ASP70 |
A | HOH5118 |
A | HOH5123 |
A | HOH5254 |
A | HOH5391 |
A | HOH5510 |
B | ARG419 |
site_id | BC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 B 5016 |
Chain | Residue |
B | HIS118 |
B | TYR153 |
B | ARG171 |
B | LYS175 |
B | HOH5101 |
B | HOH5239 |
B | HOH5445 |
site_id | BC2 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE SO4 B 5017 |
Chain | Residue |
B | LEU433 |
B | ARG436 |
B | HOH5140 |
B | HOH5197 |
B | HOH5305 |
B | HOH5443 |
B | HOH5502 |
A | HOH5415 |
B | TYR430 |
B | PRO432 |
site_id | BC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SO4 D 5018 |
Chain | Residue |
C | ARG419 |
D | PRO33 |
D | ILE67 |
D | GLY69 |
D | ASP70 |
D | HOH5100 |
D | HOH5112 |
D | HOH5331 |
D | HOH5428 |
site_id | BC4 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 C 5019 |
Chain | Residue |
C | HIS118 |
C | TYR153 |
C | ARG171 |
C | LYS175 |
C | HOH5136 |
C | HOH5213 |
C | HOH5539 |
site_id | BC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 C 5020 |
Chain | Residue |
C | PRO33 |
C | GLY69 |
C | ASP70 |
C | HOH5071 |
C | HOH5177 |
C | HOH5358 |
D | ARG419 |
site_id | BC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 D 5021 |
Chain | Residue |
D | HIS118 |
D | TYR153 |
D | ARG171 |
D | LYS175 |
D | HOH5167 |
site_id | BC7 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE SO4 F 5022 |
Chain | Residue |
E | ARG419 |
F | PRO33 |
F | ILE67 |
F | ASP68 |
F | GLY69 |
F | ASP70 |
F | HOH5089 |
F | HOH5116 |
F | HOH5288 |
F | HOH5330 |
F | HOH5373 |
site_id | BC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SO4 E 5023 |
Chain | Residue |
E | HIS118 |
E | TYR153 |
E | ARG171 |
E | LYS175 |
E | HOH5124 |
E | HOH5215 |
E | HOH5409 |
E | HOH5552 |
site_id | BC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 E 5024 |
Chain | Residue |
E | TYR430 |
E | PRO432 |
E | LEU433 |
E | ARG436 |
E | HOH5248 |
E | HOH5353 |
F | HOH5228 |
site_id | CC1 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE SO4 E 5025 |
Chain | Residue |
E | PRO33 |
E | ILE67 |
E | ASP68 |
E | GLY69 |
E | ASP70 |
E | HOH5065 |
E | HOH5127 |
E | HOH5300 |
E | HOH5365 |
F | ARG419 |
site_id | CC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SO4 F 5026 |
Chain | Residue |
F | HIS118 |
F | TYR153 |
F | ARG171 |
F | LYS175 |
F | HOH5189 |
F | HOH5209 |
F | HOH5423 |
F | HOH5465 |
site_id | CC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SO4 C 5027 |
Chain | Residue |
C | TYR430 |
C | PRO432 |
C | LEU433 |
C | ARG436 |
C | HOH5493 |
D | GLY19 |
D | GLU92 |
D | HOH5246 |
D | HOH5391 |
site_id | CC4 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 D 5028 |
Chain | Residue |
C | HOH5227 |
C | HOH5337 |
D | TYR430 |
D | PRO432 |
D | LEU433 |
D | ARG436 |
D | HOH5249 |
site_id | CC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 5029 |
Chain | Residue |
A | THR114 |
A | ASN117 |
A | HIS118 |
A | HOH5531 |
site_id | CC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 B 5030 |
Chain | Residue |
B | THR114 |
B | ASN117 |
B | HIS118 |
B | HOH5371 |
B | HOH5527 |
B | HOH5585 |
site_id | CC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 5031 |
Chain | Residue |
C | THR114 |
C | ASN117 |
C | HIS118 |
C | HOH5368 |
site_id | CC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 D 5032 |
Chain | Residue |
D | THR114 |
D | ASN117 |
D | HIS118 |
D | HOH5381 |
site_id | CC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 E 5033 |
Chain | Residue |
E | THR114 |
E | ASN117 |
E | HIS118 |
E | HOH5288 |
E | HOH5522 |
site_id | DC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 F 5034 |
Chain | Residue |
F | THR114 |
F | ASN117 |
F | HIS118 |
F | HOH5425 |
F | HOH5522 |
site_id | DC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 5035 |
Chain | Residue |
A | THR110 |
A | ASN113 |
A | HOH5277 |
site_id | DC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 5036 |
Chain | Residue |
B | THR110 |
B | ASN113 |
B | HOH5157 |
B | HOH5174 |
B | HOH5465 |
site_id | DC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 E 5037 |
Chain | Residue |
E | THR110 |
E | ASN113 |
E | HOH5185 |
site_id | DC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 F 5038 |
Chain | Residue |
F | THR110 |
F | ASN113 |
F | HOH5190 |
F | HOH5521 |
site_id | DC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 5039 |
Chain | Residue |
B | ASP155 |
B | LEU167 |
B | ARG171 |
B | HOH5403 |
B | HOH5516 |
site_id | DC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 5040 |
Chain | Residue |
A | LEU167 |
A | ARG171 |
A | HOH5362 |
site_id | DC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 5041 |
Chain | Residue |
C | ASP155 |
C | ARG171 |
C | HOH5208 |
C | HOH5532 |
site_id | DC9 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 D 5042 |
Chain | Residue |
D | LEU167 |
D | ARG171 |
D | HOH5416 |
site_id | EC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 E 5043 |
Chain | Residue |
E | ASP155 |
E | ARG171 |
E | HOH5266 |
E | HOH5414 |
site_id | EC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 F 5044 |
Chain | Residue |
F | ARG171 |
F | HOH5349 |
F | HOH5455 |
site_id | EC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 5045 |
Chain | Residue |
B | GLN427 |
B | HOH5209 |
B | HOH5365 |
B | HOH5478 |
B | HOH5575 |
site_id | EC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 C 5046 |
Chain | Residue |
C | PRO221 |
C | ARG225 |
site_id | EC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 5047 |
Chain | Residue |
A | LYS20 |
A | PRO221 |
A | ARG225 |
site_id | EC6 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 B 5048 |
Chain | Residue |
B | ARG225 |
B | HOH5601 |
site_id | EC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE SO4 D 5049 |
Chain | Residue |
D | PRO221 |
D | ARG225 |
site_id | EC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 E 5050 |
Chain | Residue |
E | PRO221 |
E | ARG225 |
E | HOH5537 |
site_id | EC9 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 F 5051 |
Chain | Residue |
F | PRO221 |
F | ARG225 |
F | HOH5514 |
site_id | FC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 5052 |
Chain | Residue |
A | ARG133 |
A | HOH5569 |
D | ASP135 |
site_id | FC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 B 5053 |
Chain | Residue |
B | ARG133 |
B | HOH5381 |
E | ASP135 |
site_id | FC3 |
Number of Residues | 27 |
Details | BINDING SITE FOR RESIDUE CMX A 5001 |
Chain | Residue |
A | ALA271 |
A | HIS272 |
A | ALA275 |
A | VAL299 |
A | LYS307 |
A | LEU308 |
A | GLY310 |
A | PHE311 |
A | GLY312 |
A | HIS313 |
A | ARG314 |
A | TYR360 |
A | ARG364 |
A | LEU366 |
A | ASN369 |
A | ASP371 |
A | PHE392 |
A | OAA5007 |
A | HOH5057 |
A | HOH5108 |
A | HOH5215 |
A | HOH5314 |
A | HOH5405 |
A | HOH5474 |
A | HOH5486 |
A | HOH5502 |
B | ARG414 |
site_id | FC4 |
Number of Residues | 27 |
Details | BINDING SITE FOR RESIDUE CMX B 5002 |
Chain | Residue |
A | ARG414 |
B | ALA271 |
B | HIS272 |
B | ALA275 |
B | VAL299 |
B | LYS307 |
B | LEU308 |
B | GLY310 |
B | PHE311 |
B | GLY312 |
B | HIS313 |
B | ARG314 |
B | TYR360 |
B | ARG364 |
B | LEU366 |
B | ASN369 |
B | ASP371 |
B | PHE392 |
B | OAA5008 |
B | HOH5078 |
B | HOH5082 |
B | HOH5181 |
B | HOH5380 |
B | HOH5388 |
B | HOH5406 |
B | HOH5491 |
B | HOH5586 |
site_id | FC5 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE CMX C 5003 |
Chain | Residue |
C | ALA271 |
C | HIS272 |
C | ALA275 |
C | VAL299 |
C | LYS307 |
C | LEU308 |
C | GLY310 |
C | PHE311 |
C | GLY312 |
C | HIS313 |
C | ARG314 |
C | TYR360 |
C | ARG364 |
C | LEU366 |
C | ASN369 |
C | ASP371 |
C | PHE392 |
C | OAA5009 |
C | HOH5054 |
C | HOH5098 |
C | HOH5159 |
C | HOH5351 |
C | HOH5398 |
C | HOH5440 |
C | HOH5463 |
C | HOH5554 |
C | HOH5562 |
D | ARG414 |
site_id | FC6 |
Number of Residues | 24 |
Details | BINDING SITE FOR RESIDUE CMX D 5004 |
Chain | Residue |
C | ARG414 |
D | ALA271 |
D | HIS272 |
D | ALA275 |
D | VAL299 |
D | LYS307 |
D | LEU308 |
D | GLY310 |
D | PHE311 |
D | GLY312 |
D | ARG314 |
D | TYR360 |
D | ARG364 |
D | LEU366 |
D | ASN369 |
D | ASP371 |
D | PHE392 |
D | OAA5010 |
D | HOH5076 |
D | HOH5088 |
D | HOH5099 |
D | HOH5313 |
D | HOH5406 |
D | HOH5419 |
site_id | FC7 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE CMX E 5005 |
Chain | Residue |
E | ALA271 |
E | HIS272 |
E | ALA275 |
E | VAL299 |
E | LEU308 |
E | GLY310 |
E | PHE311 |
E | GLY312 |
E | HIS313 |
E | ARG314 |
E | TYR360 |
E | ARG364 |
E | LEU366 |
E | ASN369 |
E | ASP371 |
E | PHE392 |
E | OAA5011 |
E | HOH5055 |
E | HOH5102 |
E | HOH5137 |
E | HOH5403 |
E | HOH5554 |
F | ARG414 |
site_id | FC8 |
Number of Residues | 26 |
Details | BINDING SITE FOR RESIDUE CMX F 5006 |
Chain | Residue |
E | ARG414 |
F | ALA271 |
F | HIS272 |
F | ALA275 |
F | VAL299 |
F | LYS307 |
F | LEU308 |
F | GLY310 |
F | PHE311 |
F | GLY312 |
F | HIS313 |
F | ARG314 |
F | TYR360 |
F | ARG364 |
F | LEU366 |
F | ASN369 |
F | ASP371 |
F | PHE392 |
F | OAA5012 |
F | HOH5067 |
F | HOH5090 |
F | HOH5152 |
F | HOH5441 |
F | HOH5458 |
F | HOH5467 |
F | HOH5529 |
Functional Information from PROSITE/UniProt
site_id | PS00480 |
Number of Residues | 13 |
Details | CITRATE_SYNTHASE Citrate synthase signature. GFGHrVy.KnfDPR |
Chain | Residue | Details |
A | GLY310-ARG322 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 12 |
Details | ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10117 |
Chain | Residue | Details |
A | HIS313 | |
E | ASP371 | |
F | HIS313 | |
F | ASP371 | |
A | ASP371 | |
B | HIS313 | |
B | ASP371 | |
C | HIS313 | |
C | ASP371 | |
D | HIS313 | |
D | ASP371 | |
E | HIS313 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
A | HIS272 | |
A | HIS313 | |
A | ASP371 |
site_id | CSA10 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
D | SER242 | |
D | HIS272 | |
D | HIS313 | |
D | ASP371 |
site_id | CSA11 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
E | SER242 | |
E | HIS272 | |
E | HIS313 | |
E | ASP371 |
site_id | CSA12 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
F | SER242 | |
F | HIS272 | |
F | HIS313 | |
F | ASP371 |
site_id | CSA2 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
B | HIS272 | |
B | HIS313 | |
B | ASP371 |
site_id | CSA3 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
C | HIS272 | |
C | HIS313 | |
C | ASP371 |
site_id | CSA4 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
D | HIS272 | |
D | HIS313 | |
D | ASP371 |
site_id | CSA5 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
E | HIS272 | |
E | HIS313 | |
E | ASP371 |
site_id | CSA6 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
F | HIS272 | |
F | HIS313 | |
F | ASP371 |
site_id | CSA7 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
A | SER242 | |
A | HIS272 | |
A | HIS313 | |
A | ASP371 |
site_id | CSA8 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
B | SER242 | |
B | HIS272 | |
B | HIS313 | |
B | ASP371 |
site_id | CSA9 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1aj8 |
Chain | Residue | Details |
C | SER242 | |
C | HIS272 | |
C | HIS313 | |
C | ASP371 |