5NPD
Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Oligosaccharide 4-alpha-D-glucosyltransferase | polymer | 835 | 94460.5 | 1 | UniProt (B3PEE6) Pfam (PF13802) Pfam (PF01055) Pfam (PF21365) Pfam (PF17137) | Cellvibrio japonicus | Alpha-glucosidase 31B,CJAgd31B |
| 2 | B, C, D, E, F... (A) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 3 | I (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 4 | J, K, L, M, N... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 5 | P (A) | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol | non-polymer | 175.2 | 1 | Chemie (94B) | |||
| 6 | Q (A) | OXALATE ION | non-polymer | 88.0 | 1 | Chemie (OXL) | |||
| 7 | R (A) | water | water | 18.0 | 492 | Chemie (HOH) |
Sequence modifications
A: 25 - 816 (UniProt: B3PEE6)
| PDB | External Database | Details |
|---|---|---|
| Asn 412 | Asp 412 | engineered mutation |
| Lys 817 | - | expression tag |
| Gly 818 | - | expression tag |
| Gly 819 | - | expression tag |
| Arg 820 | - | expression tag |
| Ala 821 | - | expression tag |
| Asp 822 | - | expression tag |
| Pro 823 | - | expression tag |
| Ala 824 | - | expression tag |
| Phe 825 | - | expression tag |
| Leu 826 | - | expression tag |
| Tyr 827 | - | expression tag |
| Lys 828 | - | expression tag |
| Val 829 | - | expression tag |
| Val 830 | - | expression tag |
| Ile 831 | - | expression tag |
| Asn 832 | - | expression tag |
| Ser 833 | - | expression tag |
| Lys 834 | - | expression tag |
| Leu 835 | - | expression tag |
| Glu 836 | - | expression tag |
| Gly 837 | - | expression tag |
| Lys 838 | - | expression tag |
| Pro 839 | - | expression tag |
| Ile 840 | - | expression tag |
| Pro 841 | - | expression tag |
| Asn 842 | - | expression tag |
| Pro 843 | - | expression tag |
| Leu 844 | - | expression tag |
| Leu 845 | - | expression tag |
| Gly 846 | - | expression tag |
| Leu 847 | - | expression tag |
| Asp 848 | - | expression tag |
| Ser 849 | - | expression tag |
| Thr 850 | - | expression tag |
| Arg 851 | - | expression tag |
| Thr 852 | - | expression tag |
| Gly 853 | - | expression tag |
| His 854 | - | expression tag |
| His 855 | - | expression tag |
| His 856 | - | expression tag |
| His 857 | - | expression tag |
| His 858 | - | expression tag |
| His 859 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 94460.5 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1502.3 | |
| All* | Total formula weight | 95962.8 |
