2XCE
Structure of YncF in complex with dUpNHpp
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0004170 | molecular_function | dUTP diphosphatase activity |
A | 0006226 | biological_process | dUMP biosynthetic process |
A | 0009117 | biological_process | nucleotide metabolic process |
A | 0016787 | molecular_function | hydrolase activity |
A | 0046081 | biological_process | dUTP catabolic process |
A | 0046872 | molecular_function | metal ion binding |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0004170 | molecular_function | dUTP diphosphatase activity |
B | 0006226 | biological_process | dUMP biosynthetic process |
B | 0009117 | biological_process | nucleotide metabolic process |
B | 0016787 | molecular_function | hydrolase activity |
B | 0046081 | biological_process | dUTP catabolic process |
B | 0046872 | molecular_function | metal ion binding |
C | 0000287 | molecular_function | magnesium ion binding |
C | 0004170 | molecular_function | dUTP diphosphatase activity |
C | 0006226 | biological_process | dUMP biosynthetic process |
C | 0009117 | biological_process | nucleotide metabolic process |
C | 0016787 | molecular_function | hydrolase activity |
C | 0046081 | biological_process | dUTP catabolic process |
C | 0046872 | molecular_function | metal ion binding |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0004170 | molecular_function | dUTP diphosphatase activity |
D | 0006226 | biological_process | dUMP biosynthetic process |
D | 0009117 | biological_process | nucleotide metabolic process |
D | 0016787 | molecular_function | hydrolase activity |
D | 0046081 | biological_process | dUTP catabolic process |
D | 0046872 | molecular_function | metal ion binding |
E | 0000287 | molecular_function | magnesium ion binding |
E | 0004170 | molecular_function | dUTP diphosphatase activity |
E | 0006226 | biological_process | dUMP biosynthetic process |
E | 0009117 | biological_process | nucleotide metabolic process |
E | 0016787 | molecular_function | hydrolase activity |
E | 0046081 | biological_process | dUTP catabolic process |
E | 0046872 | molecular_function | metal ion binding |
F | 0000287 | molecular_function | magnesium ion binding |
F | 0004170 | molecular_function | dUTP diphosphatase activity |
F | 0006226 | biological_process | dUMP biosynthetic process |
F | 0009117 | biological_process | nucleotide metabolic process |
F | 0016787 | molecular_function | hydrolase activity |
F | 0046081 | biological_process | dUTP catabolic process |
F | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 25 |
Details | BINDING SITE FOR RESIDUE DUP A 1131 |
Chain | Residue |
A | ASN76 |
A | HOH2080 |
A | HOH2122 |
A | HOH2123 |
A | HOH2125 |
A | HOH2126 |
A | HOH2127 |
A | HOH2128 |
A | HOH2129 |
A | HOH2135 |
C | SER64 |
A | GLY79 |
C | HOH2035 |
C | HOH2070 |
C | HOH2071 |
D | ASP33 |
D | LYS105 |
D | HOH2106 |
A | ILE81 |
A | TYR85 |
A | TRP92 |
A | PHE93 |
A | PRO95 |
A | CA1134 |
A | GOL1135 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA A 1132 |
Chain | Residue |
A | GLN112 |
A | GOL1133 |
A | HOH2035 |
A | HOH2036 |
A | HOH2130 |
B | DUP1131 |
site_id | AC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL A 1133 |
Chain | Residue |
A | TRP25 |
A | GLN112 |
A | CA1132 |
A | HOH2130 |
A | HOH2131 |
A | HOH2132 |
B | VAL80 |
B | DUP1131 |
B | HOH2072 |
site_id | AC4 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE DUP B 1131 |
Chain | Residue |
A | SER64 |
A | CA1132 |
A | GOL1133 |
A | HOH2036 |
A | HOH2068 |
A | HOH2132 |
B | ASN76 |
B | GLY79 |
B | ILE81 |
B | TYR85 |
B | TRP92 |
B | PHE93 |
B | PRO95 |
B | HOH2072 |
B | HOH2116 |
B | HOH2117 |
B | HOH2118 |
B | HOH2119 |
B | HOH2120 |
B | HOH2121 |
E | LYS105 |
E | HOH2042 |
E | HOH2098 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CA B 1132 |
Chain | Residue |
B | HOH2029 |
B | HOH2030 |
C | DUP1131 |
C | HOH2124 |
site_id | AC6 |
Number of Residues | 24 |
Details | BINDING SITE FOR RESIDUE DUP C 1131 |
Chain | Residue |
B | ARG63 |
B | SER64 |
B | SER65 |
B | GLN112 |
B | CA1132 |
B | HOH2030 |
C | ASN76 |
C | GLY79 |
C | VAL80 |
C | ILE81 |
C | TYR85 |
C | TRP92 |
C | PHE93 |
C | PRO95 |
C | HOH2087 |
C | HOH2123 |
C | HOH2125 |
C | HOH2126 |
C | HOH2127 |
C | HOH2128 |
C | HOH2129 |
C | HOH2130 |
F | GLU103 |
F | HOH2112 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA A 1134 |
Chain | Residue |
A | DUP1131 |
A | GOL1135 |
A | HOH2133 |
C | GLN112 |
C | HOH2034 |
C | HOH2035 |
site_id | AC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 1135 |
Chain | Residue |
A | CA1134 |
A | HOH2133 |
A | HOH2134 |
A | HOH2135 |
C | TRP25 |
C | GLN112 |
A | VAL80 |
A | DUP1131 |
site_id | AC9 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE DUP D 1131 |
Chain | Residue |
B | ASP33 |
B | GLU103 |
B | LYS105 |
D | ASN76 |
D | GLY79 |
D | ILE81 |
D | TYR85 |
D | TRP92 |
D | PHE93 |
D | PRO95 |
D | CA1133 |
D | GOL1134 |
D | HOH2126 |
D | HOH2127 |
D | HOH2128 |
D | HOH2129 |
D | HOH2130 |
D | HOH2131 |
D | HOH2132 |
D | HOH2133 |
D | HOH2134 |
D | HOH2135 |
D | HOH2136 |
D | HOH2138 |
F | SER64 |
F | HOH2032 |
F | HOH2071 |
F | HOH2072 |
site_id | BC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CA D 1146 |
Chain | Residue |
D | HOH2033 |
D | HOH2034 |
E | DUP1131 |
E | HOH2119 |
site_id | BC2 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL D 1132 |
Chain | Residue |
C | ASN69 |
C | ASP108 |
C | ARG109 |
C | HOH2074 |
C | HOH2081 |
D | GLY107 |
D | ASP108 |
D | ARG109 |
D | HOH2137 |
site_id | BC3 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE DUP E 1131 |
Chain | Residue |
C | HOH2106 |
D | ARG63 |
D | SER64 |
D | SER65 |
D | GLN112 |
D | CA1146 |
E | ASN76 |
E | GLY79 |
E | VAL80 |
E | ILE81 |
E | TYR85 |
E | TRP92 |
E | PHE93 |
E | PRO95 |
E | HOH2079 |
E | HOH2118 |
E | HOH2120 |
E | HOH2121 |
E | HOH2122 |
E | HOH2123 |
E | HOH2124 |
E | HOH2125 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CA E 1146 |
Chain | Residue |
E | HOH2030 |
E | HOH2032 |
F | DUP1131 |
F | HOH2133 |
site_id | BC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA E 1147 |
Chain | Residue |
D | HOH2055 |
E | HOH2052 |
F | HOH2052 |
site_id | BC6 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL E 1132 |
Chain | Residue |
A | ASN69 |
A | PHE70 |
A | ASP108 |
A | ARG109 |
A | HOH2069 |
A | HOH2073 |
E | GLY107 |
E | ASP108 |
E | ARG109 |
E | HOH2126 |
site_id | BC7 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE DUP F 1131 |
Chain | Residue |
A | HOH2099 |
E | ARG63 |
E | SER64 |
E | SER65 |
E | GLN112 |
E | CA1146 |
F | ASN76 |
F | GLY79 |
F | VAL80 |
F | ILE81 |
F | TYR85 |
F | TRP92 |
F | PHE93 |
F | PRO95 |
F | HOH2089 |
F | HOH2132 |
F | HOH2135 |
F | HOH2136 |
F | HOH2137 |
F | HOH2138 |
F | HOH2139 |
site_id | BC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA D 1133 |
Chain | Residue |
D | DUP1131 |
D | GOL1134 |
D | HOH2140 |
F | GLN112 |
F | HOH2030 |
F | HOH2032 |
site_id | BC9 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL F 1132 |
Chain | Residue |
B | GLY107 |
B | ASP108 |
B | ARG109 |
F | ASN69 |
F | PHE70 |
F | ASP108 |
F | ARG109 |
F | HOH2075 |
F | HOH2082 |
F | HOH2140 |
site_id | CC1 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL D 1134 |
Chain | Residue |
D | VAL80 |
D | DUP1131 |
D | CA1133 |
D | HOH2138 |
D | HOH2139 |
D | HOH2140 |
F | TRP25 |
F | GLN112 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 6 |
Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:20823546, ECO:0000305|PubMed:23897460 |
Chain | Residue | Details |
A | ASP82 | |
B | ASP82 | |
C | ASP82 | |
D | ASP82 | |
E | ASP82 | |
F | ASP82 |
site_id | SWS_FT_FI2 |
Number of Residues | 24 |
Details | BINDING: BINDING => ECO:0000305|PubMed:20823546, ECO:0007744|PDB:2XCE |
Chain | Residue | Details |
A | SER64 | |
B | TYR85 | |
B | PHE93 | |
C | SER64 | |
C | ASN76 | |
C | TYR85 | |
C | PHE93 | |
D | SER64 | |
D | ASN76 | |
D | TYR85 | |
D | PHE93 | |
E | SER64 | |
E | ASN76 | |
E | TYR85 | |
E | PHE93 | |
F | SER64 | |
F | ASN76 | |
F | TYR85 | |
F | PHE93 | |
A | ASN76 | |
A | TYR85 | |
A | PHE93 | |
B | SER64 | |
B | ASN76 |