4KT2
Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0008927 | molecular_function | mannonate dehydratase activity |
A | 0009063 | biological_process | amino acid catabolic process |
A | 0016052 | biological_process | carbohydrate catabolic process |
A | 0016829 | molecular_function | lyase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0047929 | molecular_function | gluconate dehydratase activity |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0008927 | molecular_function | mannonate dehydratase activity |
B | 0009063 | biological_process | amino acid catabolic process |
B | 0016052 | biological_process | carbohydrate catabolic process |
B | 0016829 | molecular_function | lyase activity |
B | 0046872 | molecular_function | metal ion binding |
B | 0047929 | molecular_function | gluconate dehydratase activity |
C | 0000287 | molecular_function | magnesium ion binding |
C | 0008927 | molecular_function | mannonate dehydratase activity |
C | 0009063 | biological_process | amino acid catabolic process |
C | 0016052 | biological_process | carbohydrate catabolic process |
C | 0016829 | molecular_function | lyase activity |
C | 0046872 | molecular_function | metal ion binding |
C | 0047929 | molecular_function | gluconate dehydratase activity |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0008927 | molecular_function | mannonate dehydratase activity |
D | 0009063 | biological_process | amino acid catabolic process |
D | 0016052 | biological_process | carbohydrate catabolic process |
D | 0016829 | molecular_function | lyase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0047929 | molecular_function | gluconate dehydratase activity |
E | 0000287 | molecular_function | magnesium ion binding |
E | 0008927 | molecular_function | mannonate dehydratase activity |
E | 0009063 | biological_process | amino acid catabolic process |
E | 0016052 | biological_process | carbohydrate catabolic process |
E | 0016829 | molecular_function | lyase activity |
E | 0046872 | molecular_function | metal ion binding |
E | 0047929 | molecular_function | gluconate dehydratase activity |
F | 0000287 | molecular_function | magnesium ion binding |
F | 0008927 | molecular_function | mannonate dehydratase activity |
F | 0009063 | biological_process | amino acid catabolic process |
F | 0016052 | biological_process | carbohydrate catabolic process |
F | 0016829 | molecular_function | lyase activity |
F | 0046872 | molecular_function | metal ion binding |
F | 0047929 | molecular_function | gluconate dehydratase activity |
G | 0000287 | molecular_function | magnesium ion binding |
G | 0008927 | molecular_function | mannonate dehydratase activity |
G | 0009063 | biological_process | amino acid catabolic process |
G | 0016052 | biological_process | carbohydrate catabolic process |
G | 0016829 | molecular_function | lyase activity |
G | 0046872 | molecular_function | metal ion binding |
G | 0047929 | molecular_function | gluconate dehydratase activity |
H | 0000287 | molecular_function | magnesium ion binding |
H | 0008927 | molecular_function | mannonate dehydratase activity |
H | 0009063 | biological_process | amino acid catabolic process |
H | 0016052 | biological_process | carbohydrate catabolic process |
H | 0016829 | molecular_function | lyase activity |
H | 0046872 | molecular_function | metal ion binding |
H | 0047929 | molecular_function | gluconate dehydratase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CL A 501 |
Chain | Residue |
A | PRO82 |
A | VAL83 |
E | PRO82 |
E | VAL83 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG A 502 |
Chain | Residue |
A | HOH867 |
A | ASP213 |
A | GLU239 |
A | GLU265 |
A | HOH806 |
A | HOH865 |
site_id | AC3 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 503 |
Chain | Residue |
A | ASN39 |
A | HIS215 |
A | GLU265 |
A | HIS315 |
A | PRO317 |
A | ASP319 |
A | TRP405 |
E | TRP78 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 504 |
Chain | Residue |
A | THR129 |
A | ILE130 |
A | HIS192 |
A | HOH699 |
A | HOH811 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 A 505 |
Chain | Residue |
A | ARG17 |
A | THR318 |
A | HOH676 |
A | HOH697 |
A | HOH771 |
site_id | AC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CL B 501 |
Chain | Residue |
B | PRO82 |
B | VAL83 |
D | PRO82 |
D | VAL83 |
site_id | AC7 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MG B 502 |
Chain | Residue |
B | ASP213 |
B | GLU239 |
B | GLU265 |
B | ARG286 |
B | HOH865 |
B | HOH866 |
B | HOH867 |
site_id | AC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL B 503 |
Chain | Residue |
B | ASN39 |
B | HIS215 |
B | GLU265 |
B | HIS315 |
B | PRO317 |
B | ASP319 |
B | HOH866 |
D | TYR77 |
D | TRP78 |
site_id | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 504 |
Chain | Residue |
B | THR129 |
B | ILE130 |
B | HIS192 |
B | HOH736 |
B | HOH737 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE CL C 501 |
Chain | Residue |
C | GLY81 |
C | PRO82 |
C | VAL83 |
G | PRO82 |
G | VAL83 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG C 502 |
Chain | Residue |
C | ASP213 |
C | GLU239 |
C | GLU265 |
C | HOH641 |
C | HOH679 |
C | HOH854 |
site_id | BC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL C 503 |
Chain | Residue |
C | ASN39 |
C | HIS215 |
C | GLU265 |
C | HIS315 |
C | PRO317 |
C | ASP319 |
C | TRP405 |
G | TYR77 |
G | TRP78 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 504 |
Chain | Residue |
C | THR129 |
C | ILE130 |
C | HIS192 |
C | HOH756 |
site_id | BC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 C 505 |
Chain | Residue |
C | ARG17 |
C | THR318 |
C | HOH688 |
C | HOH701 |
C | HOH707 |
site_id | BC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG D 501 |
Chain | Residue |
D | ASP213 |
D | GLU239 |
D | GLU265 |
D | HOH618 |
D | HOH665 |
D | HOH854 |
site_id | BC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL D 502 |
Chain | Residue |
B | TRP78 |
D | ASN39 |
D | HIS215 |
D | HIS315 |
D | PRO317 |
D | ASP319 |
D | TRP405 |
D | HOH665 |
site_id | BC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 D 503 |
Chain | Residue |
D | HOH762 |
D | HOH815 |
D | THR129 |
D | ILE130 |
D | HIS192 |
site_id | BC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 D 504 |
Chain | Residue |
D | ARG17 |
D | THR318 |
D | HOH673 |
D | HOH774 |
site_id | CC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG E 501 |
Chain | Residue |
E | ASP213 |
E | GLU239 |
E | GLU265 |
E | HOH654 |
E | HOH758 |
E | HOH879 |
site_id | CC2 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL E 502 |
Chain | Residue |
A | TYR77 |
A | TRP78 |
E | ASN39 |
E | TYR161 |
E | HIS215 |
E | GLU265 |
E | HIS315 |
E | PRO317 |
E | ASP319 |
E | TRP405 |
E | HOH758 |
site_id | CC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 E 503 |
Chain | Residue |
E | THR129 |
E | ILE130 |
E | HIS192 |
E | HOH726 |
E | HOH751 |
site_id | CC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE CL F 501 |
Chain | Residue |
F | PRO82 |
F | VAL83 |
H | PRO82 |
H | VAL83 |
H | THR84 |
site_id | CC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG F 502 |
Chain | Residue |
F | ASP213 |
F | GLU239 |
F | GLU265 |
F | HOH670 |
F | HOH822 |
F | HOH876 |
site_id | CC6 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL F 503 |
Chain | Residue |
F | ASN39 |
F | HIS215 |
F | GLU265 |
F | HIS315 |
F | PRO317 |
F | ASP319 |
F | TRP405 |
F | HOH670 |
H | TRP78 |
site_id | CC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE GOL F 504 |
Chain | Residue |
F | GLU349 |
F | TYR385 |
site_id | CC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 F 505 |
Chain | Residue |
F | THR129 |
F | ILE130 |
F | HIS192 |
F | HOH808 |
F | HOH825 |
site_id | CC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 F 506 |
Chain | Residue |
F | ARG17 |
F | THR318 |
F | HOH686 |
F | HOH712 |
F | HOH737 |
site_id | DC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG G 501 |
Chain | Residue |
G | ASP213 |
G | GLU239 |
G | GLU265 |
G | HOH656 |
G | HOH712 |
G | HOH883 |
site_id | DC2 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL G 502 |
Chain | Residue |
C | TYR77 |
C | TRP78 |
G | ASN39 |
G | HIS215 |
G | GLU265 |
G | HIS315 |
G | PRO317 |
G | ASP319 |
G | TRP405 |
G | HOH712 |
site_id | DC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 G 503 |
Chain | Residue |
G | THR129 |
G | ILE130 |
G | HIS192 |
G | HOH752 |
G | HOH774 |
site_id | DC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 G 504 |
Chain | Residue |
G | ARG17 |
G | THR318 |
G | HOH668 |
G | HOH696 |
G | HOH708 |
site_id | DC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MG H 501 |
Chain | Residue |
H | ASP213 |
H | GLU239 |
H | GLU265 |
H | HOH867 |
H | HOH868 |
H | HOH869 |
site_id | DC6 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL H 502 |
Chain | Residue |
F | TRP78 |
H | ASN39 |
H | HIS215 |
H | GLU265 |
H | HIS315 |
H | PRO317 |
H | ASP319 |
H | TRP405 |
H | HOH869 |
site_id | DC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 H 503 |
Chain | Residue |
H | THR129 |
H | ILE130 |
H | HIS192 |
H | HOH716 |
H | HOH725 |
site_id | DC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 H 504 |
Chain | Residue |
H | ARG17 |
H | PRO173 |
H | THR318 |
H | HOH660 |
H | HOH709 |
H | HOH710 |
Functional Information from PROSITE/UniProt
site_id | PS00908 |
Number of Residues | 26 |
Details | MR_MLE_1 Mandelate racemase / muconate lactonizing enzyme family signature 1. AiAAVDmALwDIkAKaagmPLyqLLG |
Chain | Residue | Details |
A | ALA87-GLY112 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 16 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000250 |
Chain | Residue | Details |
A | TYR161 | |
A | HIS215 | |
B | TYR161 | |
B | HIS215 | |
C | TYR161 | |
C | HIS215 | |
D | TYR161 | |
D | HIS215 | |
E | TYR161 | |
E | HIS215 | |
F | TYR161 | |
F | HIS215 | |
G | TYR161 | |
G | HIS215 | |
H | TYR161 | |
H | HIS215 |
site_id | SWS_FT_FI2 |
Number of Residues | 48 |
Details | BINDING: |
Chain | Residue | Details |
E | ASN39 | |
E | GLU265 | |
E | ARG286 | |
E | HIS315 | |
E | ASP319 | |
E | GLU342 | |
F | ASN39 | |
F | GLU265 | |
F | ARG286 | |
F | HIS315 | |
F | ASP319 | |
F | GLU342 | |
G | ASN39 | |
G | GLU265 | |
G | ARG286 | |
G | HIS315 | |
G | ASP319 | |
G | GLU342 | |
H | ASN39 | |
H | GLU265 | |
H | ARG286 | |
H | HIS315 | |
H | ASP319 | |
H | GLU342 | |
A | ASN39 | |
A | GLU265 | |
A | ARG286 | |
A | HIS315 | |
A | ASP319 | |
A | GLU342 | |
B | ASN39 | |
B | GLU265 | |
B | ARG286 | |
B | HIS315 | |
B | ASP319 | |
B | GLU342 | |
C | ASN39 | |
C | GLU265 | |
C | ARG286 | |
C | HIS315 | |
C | ASP319 | |
C | GLU342 | |
D | ASN39 | |
D | GLU265 | |
D | ARG286 | |
D | HIS315 | |
D | ASP319 | |
D | GLU342 |
site_id | SWS_FT_FI3 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | HIS124 | |
B | HIS124 | |
C | HIS124 | |
D | HIS124 | |
E | HIS124 | |
F | HIS124 | |
G | HIS124 | |
H | HIS124 |
site_id | SWS_FT_FI4 |
Number of Residues | 16 |
Details | BINDING: BINDING => ECO:0000269|Ref.2 |
Chain | Residue | Details |
E | ASP213 | |
E | GLU239 | |
F | ASP213 | |
F | GLU239 | |
G | ASP213 | |
G | GLU239 | |
H | ASP213 | |
H | GLU239 | |
B | ASP213 | |
B | GLU239 | |
C | ASP213 | |
C | GLU239 | |
D | ASP213 | |
A | ASP213 | |
A | GLU239 | |
D | GLU239 |
site_id | SWS_FT_FI5 |
Number of Residues | 8 |
Details | SITE: Important for activity and substrate specificity; Pro is observed in family members with low D-mannonate dehydratase activity |
Chain | Residue | Details |
A | PRO317 | |
B | PRO317 | |
C | PRO317 | |
D | PRO317 | |
E | PRO317 | |
F | PRO317 | |
G | PRO317 | |
H | PRO317 |