4D71
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | GLYCOSIDE HYDROLASE | polymer | 596 | 68706.2 | 1 | UniProt (A5LBQ0) Pfam (PF08306) Pfam (PF08307) UniProt (by SIFTS) (A0A0H2UKY3) | STREPTOCOCCUS PNEUMONIAE | |
| 2 | B (B) | alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 732.7 | 1 | In PDB GlyTouCan (G74353FF) | |||
| 3 | C (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | D, E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | H (A) | water | water | 18.0 | 780 | Chemie (HOH) |
Sequence modifications
A: 421 - 1003 (UniProt: A5LBQ0)
| PDB | External Database | Details |
|---|---|---|
| Leu 1004 | - | expression tag |
| Glu 1005 | - | expression tag |
| His 1006 | - | expression tag |
| Pro 1007 | - | expression tag |
| Pro 1008 | - | expression tag |
| Pro 1009 | - | expression tag |
| Pro 1010 | - | expression tag |
| Pro 1011 | - | expression tag |
| Leu 1012 | - | expression tag |
| Arg 1013 | - | expression tag |
| Ser 1014 | - | expression tag |
| Gly 1015 | - | expression tag |
| Cys 1016 | - | expression tag |
| Ala 558 | Glu 560 | engineered mutation |
| Ser 559 | Asn 561 | engineered mutation |
| Ser 592 | Asn 594 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 68706.2 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 732.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 446.3 | |
| All* | Total formula weight | 69885.2 |
