3B05
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and IPP at 2.2A resolution.
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0004452 | molecular_function | isopentenyl-diphosphate delta-isomerase activity |
A | 0005737 | cellular_component | cytoplasm |
A | 0008299 | biological_process | isoprenoid biosynthetic process |
A | 0010181 | molecular_function | FMN binding |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016853 | molecular_function | isomerase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0070402 | molecular_function | NADPH binding |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0004452 | molecular_function | isopentenyl-diphosphate delta-isomerase activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0008299 | biological_process | isoprenoid biosynthetic process |
B | 0010181 | molecular_function | FMN binding |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0016853 | molecular_function | isomerase activity |
B | 0046872 | molecular_function | metal ion binding |
B | 0070402 | molecular_function | NADPH binding |
C | 0000287 | molecular_function | magnesium ion binding |
C | 0004452 | molecular_function | isopentenyl-diphosphate delta-isomerase activity |
C | 0005737 | cellular_component | cytoplasm |
C | 0008299 | biological_process | isoprenoid biosynthetic process |
C | 0010181 | molecular_function | FMN binding |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016853 | molecular_function | isomerase activity |
C | 0046872 | molecular_function | metal ion binding |
C | 0070402 | molecular_function | NADPH binding |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0004452 | molecular_function | isopentenyl-diphosphate delta-isomerase activity |
D | 0005737 | cellular_component | cytoplasm |
D | 0008299 | biological_process | isoprenoid biosynthetic process |
D | 0010181 | molecular_function | FMN binding |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0016853 | molecular_function | isomerase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE FNR A 669 |
Chain | Residue |
A | THR65 |
A | GLY222 |
A | THR223 |
A | TRP225 |
A | GLY274 |
A | GLY275 |
A | ARG277 |
A | MET295 |
A | ALA296 |
A | LEU297 |
A | HOH374 |
A | GLY66 |
A | HOH401 |
A | HOH457 |
A | HOH479 |
A | IPE701 |
A | MET67 |
A | GLY95 |
A | SER96 |
A | ASN125 |
A | HIS155 |
A | LYS193 |
A | SER218 |
site_id | AC2 |
Number of Residues | 16 |
Details | BINDING SITE FOR RESIDUE IPE A 701 |
Chain | Residue |
A | ARG7 |
A | LYS8 |
A | HIS11 |
A | SER96 |
A | ARG98 |
A | HIS155 |
A | ASN157 |
A | GLN160 |
A | GLU161 |
A | GLN164 |
A | TRP225 |
A | HOH371 |
A | HOH437 |
A | HOH467 |
A | FNR669 |
A | MG1001 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG A 1001 |
Chain | Residue |
A | GLU161 |
A | HOH371 |
A | HOH437 |
A | IPE701 |
site_id | AC4 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE FNR B 669 |
Chain | Residue |
B | THR65 |
B | GLY66 |
B | MET67 |
B | GLY95 |
B | SER96 |
B | ASN125 |
B | HIS155 |
B | LYS193 |
B | SER218 |
B | GLY222 |
B | THR223 |
B | TRP225 |
B | GLY274 |
B | GLY275 |
B | ARG277 |
B | ALA296 |
B | LEU297 |
B | HOH370 |
B | HOH380 |
B | HOH384 |
B | HOH469 |
B | IPE701 |
site_id | AC5 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE IPE B 701 |
Chain | Residue |
B | ILE4 |
B | ARG7 |
B | LYS8 |
B | HIS11 |
B | SER96 |
B | ARG98 |
B | HIS155 |
B | ASN157 |
B | GLN160 |
B | GLU161 |
B | GLN164 |
B | TRP225 |
B | HOH446 |
B | FNR669 |
B | MG1001 |
site_id | AC6 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MG B 1001 |
Chain | Residue |
B | GLU161 |
B | IPE701 |
site_id | AC7 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE FNR C 669 |
Chain | Residue |
C | HOH369 |
C | HOH370 |
C | HOH399 |
C | HOH446 |
C | IPE701 |
C | THR65 |
C | GLY66 |
C | MET67 |
C | GLY95 |
C | SER96 |
C | ASN125 |
C | HIS155 |
C | LYS193 |
C | SER218 |
C | GLY222 |
C | THR223 |
C | TRP225 |
C | GLY274 |
C | GLY275 |
C | ARG277 |
C | ALA296 |
C | LEU297 |
site_id | AC8 |
Number of Residues | 18 |
Details | BINDING SITE FOR RESIDUE IPE C 701 |
Chain | Residue |
C | ARG7 |
C | LYS8 |
C | HIS11 |
C | SER96 |
C | ARG98 |
C | HIS155 |
C | ASN157 |
C | GLN160 |
C | GLU161 |
C | GLN164 |
C | SER195 |
C | TRP225 |
C | HOH455 |
C | HOH458 |
C | HOH474 |
C | HOH482 |
C | FNR669 |
C | MG1001 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG C 1001 |
Chain | Residue |
C | GLU161 |
C | HOH458 |
C | HOH482 |
C | IPE701 |
site_id | BC1 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE FNR D 669 |
Chain | Residue |
D | THR65 |
D | GLY66 |
D | MET67 |
D | GLY95 |
D | SER96 |
D | ASN125 |
D | HIS155 |
D | LYS193 |
D | SER218 |
D | GLY222 |
D | THR223 |
D | TRP225 |
D | GLY275 |
D | ARG277 |
D | ALA296 |
D | LEU297 |
D | LEU300 |
D | HOH370 |
D | HOH371 |
D | HOH379 |
D | HOH450 |
D | IPE701 |
site_id | BC2 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE IPE D 701 |
Chain | Residue |
D | ILE4 |
D | ARG7 |
D | LYS8 |
D | HIS11 |
D | SER96 |
D | ARG98 |
D | HIS155 |
D | ASN157 |
D | GLN160 |
D | GLU161 |
D | GLN164 |
D | TRP225 |
D | HOH429 |
D | HOH474 |
D | HOH475 |
D | HOH476 |
D | HOH481 |
D | FNR669 |
D | MG1001 |
site_id | BC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG D 1001 |
Chain | Residue |
D | ARG98 |
D | GLU161 |
D | HOH475 |
D | HOH476 |
D | HOH481 |
D | IPE701 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | BINDING: |
Chain | Residue | Details |
A | ARG7 | |
A | GLN160 | |
B | ARG7 | |
B | GLN160 | |
C | ARG7 | |
C | GLN160 | |
D | ARG7 | |
D | GLN160 |
site_id | SWS_FT_FI2 |
Number of Residues | 40 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00354, ECO:0000269|PubMed:19158086, ECO:0000269|PubMed:22158896 |
Chain | Residue | Details |
A | THR65 | |
A | ALA296 | |
B | THR65 | |
B | GLY66 | |
B | SER96 | |
B | ASN125 | |
B | GLU161 | |
B | LYS193 | |
B | SER218 | |
B | THR223 | |
B | GLY275 | |
A | GLY66 | |
B | ALA296 | |
C | THR65 | |
C | GLY66 | |
C | SER96 | |
C | ASN125 | |
C | GLU161 | |
C | LYS193 | |
C | SER218 | |
C | THR223 | |
C | GLY275 | |
A | SER96 | |
C | ALA296 | |
D | THR65 | |
D | GLY66 | |
D | SER96 | |
D | ASN125 | |
D | GLU161 | |
D | LYS193 | |
D | SER218 | |
D | THR223 | |
D | GLY275 | |
A | ASN125 | |
D | ALA296 | |
A | GLU161 | |
A | LYS193 | |
A | SER218 | |
A | THR223 | |
A | GLY275 |