Receptor
PDB id Resolution Class Description Source Keywords
2VFT 1.6 Å EC: 1.1.3.41 ALDITOL OXIDASE FROM STREPTOMYCES COELICOLOR A3(2): COMPLEX WITH SORBITOL STREPTOMYCES COELICOLOR FAD SUGAR POLYOL FLAVIN OXIDASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM AND STEREOSELECTIVITY IN STREPTOMYCES COELICOLOR ALDITOL OXIDASE. BIOCHEMISTRY V. 47 978 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1420;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FAD A:1418;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SOR A:1419;
Valid;
none;
submit data
182.172 C6 H14 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VFT 1.6 Å EC: 1.1.3.41 ALDITOL OXIDASE FROM STREPTOMYCES COELICOLOR A3(2): COMPLEX WITH SORBITOL STREPTOMYCES COELICOLOR FAD SUGAR POLYOL FLAVIN OXIDASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM AND STEREOSELECTIVITY IN STREPTOMYCES COELICOLOR ALDITOL OXIDASE. BIOCHEMISTRY V. 47 978 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SOR; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 MTL 1 1
2 SOR 1 1
3 XYL 0.625 0.954545
4 RB0 0.625 0.954545
5 FOC 0.6 0.909091
6 RNT 0.6 0.909091
7 3BU 0.565217 0.909091
8 AOS 0.565217 0.909091
9 GLO 0.565217 0.909091
10 DNO 0.565217 0.909091
11 DTL 0.533333 0.954545
12 MRY 0.533333 0.954545
13 03W 0.5 0.826087
14 GCO 0.48 0.869565
15 CS2 0.48 0.869565
16 S6P 0.464286 0.636364
17 MMN 0.428571 0.617647
18 XLS 0.416667 0.909091
19 ROR 0.416667 0.909091
20 RB5 0.416667 0.909091
21 GOL 0.4 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VFT; Ligand: SOR; Similar sites found: 153
This union binding pocket(no: 1) in the query (biounit: 2vft.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P7Q GG6 0.006333 0.40611 None
2 5FXD H7Y 0.006304 0.41752 1.4218
3 1JL0 PUT 0.007547 0.4101 1.49701
4 4MOB ADP 0.001895 0.41367 1.50602
5 3Q8G PEE 0.02772 0.42356 1.5625
6 4U0I 0LI 0.01618 0.41653 1.5873
7 5DXI TRE 0.01117 0.40764 1.65563
8 5FP3 3JI 0.02213 0.40009 1.65877
9 3MF2 AMP 0.02134 0.40087 1.7341
10 4QDC ASD 0.01129 0.40543 1.79487
11 1I7M PUT 0.004638 0.4258 1.87266
12 2RKV ZBA 0.04101 0.40219 1.89573
13 1ODM ASV 0.0173 0.4084 2.1148
14 4HWT 1B2 0.01038 0.4111 2.17918
15 5J75 6GQ 0.005789 0.41929 2.27273
16 4WOE ADP 0.01124 0.41773 2.36967
17 2Q0D ATP 0.01545 0.41755 2.54958
18 4WN5 MVC 0.01064 0.41577 2.6087
19 4H2V AMP 0.012 0.41157 2.72727
20 3THR C2F 0.01042 0.4071 2.73038
21 2RDQ AKG 0.004524 0.43227 2.77778
22 3LVW GSH 0.006591 0.44232 3.08057
23 4EIP FAD 0.01191 0.43773 3.08057
24 3I54 CMP 0.01169 0.4047 3.21285
25 5MZI FYK 0.04181 0.41836 3.31754
26 5MZI FAD 0.04076 0.41836 3.31754
27 3WG3 A2G GAL NAG FUC 0.001955 0.42751 3.37079
28 2ZHL NAG GAL GAL NAG 0.002234 0.42291 3.37838
29 4Q0L V14 0.0152 0.41121 3.42205
30 4FHD 0TT 0.02958 0.40434 3.53261
31 4FHD EEM 0.02958 0.40434 3.53261
32 3UH0 TSB 0.007617 0.42454 3.5545
33 3OBT SLB 0.003244 0.42395 3.5545
34 4PFC 2QX 0.01079 0.42007 3.5545
35 1N07 FMN 0.01177 0.42597 3.68098
36 2XMY CDK 0.02828 0.42833 3.69128
37 2GJ5 VD3 0.005005 0.44959 3.7037
38 3KFF ZBT 0.002574 0.41609 3.7037
39 3KFF XBT 0.002574 0.41609 3.7037
40 1WW5 SGA BGC 0.00301 0.40513 3.75
41 5EOB 5QQ 0.02442 0.42583 3.76176
42 1GT4 UNA 0.009936 0.40808 3.77358
43 5USZ SKE 0.01693 0.41168 3.80623
44 3QRC SCR 0.0000782 0.48525 3.82166
45 5A89 FMN 0.0131 0.4338 3.84615
46 4CS4 AXZ 0.03866 0.40974 4.0146
47 4ZU4 4TG 0.009951 0.40805 4.05405
48 2WT2 GAL NAG GAL NAG GAL NAG 0.01174 0.41678 4.08163
49 3AMN CBK 0.0232 0.40059 4.15094
50 3AMN CBI 0.0232 0.40059 4.15094
51 4QMN DB8 0.01221 0.42744 4.19355
52 3NW7 LGV 0.04587 0.40576 4.23453
53 2WA4 069 0.0007357 0.44399 4.29799
54 4V24 GYR 0.005427 0.43341 4.31267
55 3AGC RCC 0.007792 0.42857 4.34783
56 1T27 PCW 0.02789 0.4156 4.42804
57 5H9P TD2 0.003658 0.41062 4.43038
58 4RFR RHN 0.006632 0.4205 4.4335
59 1S4M LUM 0.004768 0.43923 4.43686
60 3A7R LAQ 0.005073 0.44817 4.45104
61 1N5S ADL 0.001607 0.44582 4.46429
62 2WYA HMG 0.03057 0.4036 4.50237
63 3VPD ANP 0.003183 0.43972 4.98221
64 3E8T UQ8 0.02235 0.42933 5
65 3SAO NKN 0.01317 0.40014 5
66 3G08 FEE 0.001884 0.48622 5.05051
67 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01066 0.43046 5.05051
68 1C1L GAL BGC 0.002597 0.4365 5.10949
69 3M3R BCD 0.01447 0.42779 5.11945
70 4JJJ CE6 0.0137 0.4163 5.21327
71 1DJX I3P 0.01035 0.4005 5.21327
72 4IAW LIZ 0.003389 0.42318 5.31915
73 4WVW SLT 0.0003289 0.40544 5.55556
74 5ETR 5RW 0.02324 0.41195 5.59006
75 5ETR APC 0.02324 0.41195 5.59006
76 1U0A BGC BGC BGC BGC 0.004874 0.42286 5.60748
77 1LSH PLD 0.01149 0.42281 5.64263
78 5VNF VAL THR SER VAL VAL 0.005671 0.40646 5.73248
79 3L5R 47X 0.02582 0.43968 5.7377
80 2A4W BLM 0.0213 0.40797 5.7971
81 1Y7P RIP 0.001424 0.40869 5.8296
82 4OCT AKG 0.008444 0.40465 5.85586
83 4DE9 VTP 0.005764 0.43925 5.94406
84 3MTX PGT 0.009563 0.42937 5.96026
85 1TUV VK3 0.005546 0.41293 6.14035
86 4XV1 904 0.007163 0.43698 6.16438
87 5DQ8 FLF 0.02552 0.40645 6.25
88 1TRD PGH 0.02214 0.41303 6.4
89 5C3R AKG 0.002919 0.40233 6.41399
90 5C3R HMU 0.002919 0.40233 6.41399
91 4PSB GA3 0.03042 0.40591 6.45161
92 5ENQ 5QE 0.0218 0.40339 6.50888
93 4F4P 0SB 0.02584 0.42728 6.59341
94 5ML3 DL3 0.002267 0.46731 6.71141
95 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.01922 0.41729 6.77083
96 2DIO EOD 0.009172 0.40761 6.91489
97 5VC5 96M 0.008426 0.42687 6.92042
98 4QA8 PJZ 0.007608 0.42457 6.9869
99 5U98 1KX 0.007622 0.44328 7.07071
100 1CZI PRO PHI SMC NOR 0.01115 0.41478 7.12074
101 3L9R L9R 0.02652 0.4121 7.14286
102 1ZB6 GST 0.001599 0.46593 7.49186
103 1ZB6 DIN 0.001494 0.46593 7.49186
104 4ZSI 4R1 0.01085 0.40626 7.60234
105 5DEY 59T 0.008288 0.4372 7.74411
106 4Y24 TD2 0.005232 0.41437 7.79221
107 4QWT ACD 0.0222 0.4044 7.81991
108 1GP6 QUE 0.007347 0.42839 7.86517
109 1GP6 SIN 0.007194 0.42734 7.86517
110 1GP6 DH2 0.007194 0.42734 7.86517
111 5DRB 5FJ 0.02517 0.41967 7.90378
112 5IXH OTP 0.01443 0.43068 8.07453
113 4H6B 10Y 0.009087 0.40757 8.20513
114 4COQ SAN 0.003674 0.43288 8.50202
115 1ULE GLA GAL NAG 0.0001367 0.50565 8.66667
116 3VV1 GAL FUC 0.0003716 0.40538 8.75
117 3OYW TDG 0.002599 0.41762 8.95522
118 1W6P NDG GAL 0.003604 0.41582 8.95522
119 1GZW GAL BGC 0.005418 0.41538 8.95522
120 1OPB RET 0.01029 0.41309 8.95522
121 1W6O LAT 0.005298 0.41181 8.95522
122 1U18 HSM 0.006345 0.41055 9.18919
123 4MNS 2AX 0.002281 0.47744 9.43396
124 2AXR ABL 0.006339 0.42319 9.54274
125 1MJJ HAL 0.01135 0.4175 10.0457
126 3VQ2 LP4 LP5 MYR DAO 0.003204 0.4649 10.1896
127 4QYN RTL 0.002984 0.44289 10.5263
128 3HUJ AGH 0.02279 0.42361 10.5263
129 3SCM LGN 0.003671 0.47152 10.628
130 5T7I LAT NAG GAL 0.001128 0.4237 10.9677
131 1KGI T4A 0.001782 0.45563 11.0236
132 3QP8 HL0 0.008233 0.41402 11.413
133 1WUB OTP 0.01262 0.43373 11.7978
134 1REQ DCA 0.02031 0.42375 12.0853
135 5H9Q TD2 0.00003033 0.42616 12.2581
136 2CDO GAL AAL GAL AAL GAL AAL 0.005555 0.43313 12.5
137 4P8K 38C 0.01412 0.43786 12.5592
138 2E56 MYR 0.00327 0.45169 13.1944
139 3W8X FAD 0.04546 0.40677 13.981
140 3W8X FTK 0.009946 0.4037 13.981
141 1NKI PPF 0.00312 0.41632 14.0741
142 4G7A AZM 0.003689 0.40377 14.1129
143 3ZXE PGZ 0.001391 0.42986 14.2857
144 3OJI PYV 0.00619 0.42382 14.2857
145 4K3H 1OM 0.01707 0.40237 14.4068
146 5HES 032 0.01678 0.40442 14.658
147 3FW4 CAQ 0.01898 0.40781 15.1685
148 4NG2 OHN 0.01898 0.40012 19.469
149 2NNQ T4B 0.02126 0.41809 19.8473
150 2QO4 CHD 0.003908 0.44641 20.6349
151 4XT2 43L 0.0161 0.40847 21.3675
152 3FW9 SLX 0.01115 0.40958 22.4242
153 5K2M ADP 0.008871 0.42128 26.4151
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