Receptor
PDB id Resolution Class Description Source Keywords
1VPD 1.65 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF TARTRONATE SEMIALDEHYDE REDUCTASE [SALMONELLA TYPHIMURIUM LT2] SALMONELLA TYPHIMURIUM STRUCTURAL GENOMICS MCSG PROTEIN STRUCTURE INITIATIVE REDUCTASE TARTRONATE PSI MIDWEST CENTER FOR STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: X-RAY CRYSTAL STRUCTURE OF GARR-TARTRONATE SEMIALDEHYDE REDUCTASE FROM SALMONELLA TYPHIMURIUM. J STRUCT FUNCT GENOMICS V. 10 249 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:502;
Invalid;
none;
submit data
35.453 Cl [Cl-]
TLA A:501;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VPD 1.65 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF TARTRONATE SEMIALDEHYDE REDUCTASE [SALMONELLA TYPHIMURIUM LT2] SALMONELLA TYPHIMURIUM STRUCTURAL GENOMICS MCSG PROTEIN STRUCTURE INITIATIVE REDUCTASE TARTRONATE PSI MIDWEST CENTER FOR STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: X-RAY CRYSTAL STRUCTURE OF GARR-TARTRONATE SEMIALDEHYDE REDUCTASE FROM SALMONELLA TYPHIMURIUM. J STRUCT FUNCT GENOMICS V. 10 249 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1VPD - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1VPD - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JE8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VPD - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VPD; Ligand: TLA; Similar sites found: 162
This union binding pocket(no: 1) in the query (biounit: 1vpd.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IFB PLM 0.01113 0.4327 None
2 2ALG HP6 0.009308 0.42947 None
3 2ALG DAO 0.009308 0.42947 None
4 4WN5 MVC 0.01967 0.41489 None
5 3S7D SAH 0.01805 0.40404 1.33779
6 3CM2 X23 0.01069 0.40704 1.53846
7 3SXF BK5 0.03117 0.41117 1.67224
8 2D0V PQQ 0.02293 0.40375 1.67224
9 2VAP GDP 0.04018 0.40317 1.67224
10 5OCS FMN 0.01893 0.40049 1.67224
11 5TO8 7FM 0.04207 0.41312 1.77305
12 4TWP AXI 0.01257 0.43959 1.84502
13 2QZO KN1 0.02363 0.40613 1.93798
14 5X8G S0N 0.04467 0.41698 2.00669
15 5UR1 YY9 0.03268 0.41509 2.00669
16 4NKT 2KH 0.03207 0.40031 2.00669
17 5DRB 5FJ 0.01926 0.43559 2.06186
18 5B0W 22B 0.01542 0.43031 2.06186
19 3L9R L9Q 0.02814 0.41416 2.12014
20 4NB5 2JT 0.006812 0.43959 2.33918
21 1DLJ UGA 0.002294 0.49601 2.34114
22 4UWJ MYA 0.02969 0.43176 2.34114
23 4UWJ 7L5 0.02969 0.43176 2.34114
24 1DLJ NAI 0.04208 0.41962 2.34114
25 3VEH 0GA 0.02183 0.40945 2.34114
26 4COL DTP 0.01794 0.40805 2.34114
27 4MYD 164 0.01259 0.41513 2.38095
28 3RIY NAD 0.028 0.41203 2.5641
29 1XXA ARG 0.01698 0.4001 2.5641
30 3GKJ HC3 0.03501 0.40103 2.58621
31 3A4V PYR 0.01911 0.42305 2.67559
32 3A4V NAD 0.01911 0.42305 2.67559
33 2AEL SAZ 0.01399 0.41905 2.67559
34 2OWZ CIT 0.02793 0.40838 2.67559
35 3NW7 LGV 0.04802 0.40688 2.67559
36 4U82 FPS 0.01943 0.40749 2.73438
37 4INB 1F6 0.01982 0.40917 2.73973
38 1RP0 AHZ 0.02967 0.41302 2.8169
39 3VRV YSD 0.03812 0.40961 2.95203
40 4YDU ADP 0.03163 0.40491 2.95359
41 1N20 3AG 0.004328 0.4523 3.01003
42 5IKH 6BW 0.0214 0.42306 3.01003
43 4OKZ 3E9 0.0265 0.40784 3.01003
44 3EKK GS2 0.04696 0.40568 3.01003
45 5T2Z 017 0.02845 0.41054 3.0303
46 1QV1 CZH 0.03128 0.40416 3.07692
47 4NG2 OHN 0.01163 0.42911 3.26087
48 3OV6 MK0 0.03564 0.40363 3.34448
49 3SVJ 4LI 0.00753 0.43576 3.44828
50 3UW5 MAA CHG PRO 0DQ 0.008544 0.41431 3.44828
51 3IX8 TX3 0.02414 0.409 3.46821
52 1SR7 MOF 0.03173 0.41392 3.4749
53 3WUR O4B 0.01111 0.40143 3.50877
54 4DA6 GA2 0.01892 0.40036 3.55731
55 2V63 CAP 0.01752 0.40566 3.57143
56 2V6A CAP 0.01688 0.4056 3.57143
57 2FP2 TSA 0.02169 0.40449 3.61446
58 2YNE YNE 0.03409 0.43539 3.67893
59 2YNE NHW 0.03409 0.43539 3.67893
60 4ZBR NPS 0.02282 0.42312 3.67893
61 2HU5 GLY PHE 0.009997 0.42086 3.67893
62 4ZBR DIF 0.04347 0.40823 3.67893
63 4LNU GTP 0.044 0.40119 3.67893
64 1UZD CAP 0.01808 0.40502 3.73134
65 1U3R 338 0.01146 0.4222 3.73444
66 5G3N X28 0.04075 0.40074 3.93701
67 5MW4 5JU 0.01604 0.44173 4.01338
68 3GDN FAD 0.03336 0.41813 4.01338
69 5KBF CMP 0.01147 0.41026 4.01338
70 4ZB6 GDS 0.04653 0.40062 4.03587
71 1UZH CAP 0.01237 0.41472 4.09836
72 5K52 OCD 0.02576 0.40514 4.15094
73 3G5D 1N1 0.02746 0.42437 4.1958
74 3QXY SAM 0.01384 0.40366 4.23163
75 5M6N 7H9 0.01424 0.40319 4.23729
76 3IQE H4M 0.006545 0.44229 4.24028
77 3IQE F42 0.01178 0.43791 4.24028
78 3ZC7 ATP 0.006917 0.42604 4.33071
79 4A2B AGS 0.01371 0.41798 4.34783
80 4A2A ATP 0.01345 0.41291 4.34783
81 4Z94 ATP 0.02203 0.4047 4.34783
82 3ANP DAO 0.03277 0.40953 4.41176
83 3ANP DCC 0.04524 0.40629 4.41176
84 5VKT NAP 0.02769 0.41176 4.41989
85 2NNQ T4B 0.007026 0.45415 4.58015
86 5TVA COA 0.01792 0.40792 4.58333
87 2Y0E UGA 0.002143 0.46269 4.68227
88 4ZUL UN1 0.01319 0.43571 4.68227
89 4CQ5 TCA 0.02698 0.4176 4.68227
90 1Q1Y BB2 0.01021 0.41593 4.71204
91 3T2W BTN 0.01293 0.40386 4.91803
92 5KY3 GFB 0.01602 0.41462 5
93 3E7O 35F 0.02943 0.41244 5.01672
94 5AYV KPL 0.03218 0.40634 5.01672
95 2C4I BTN 0.006971 0.427 5.16605
96 4XB4 45D 0.008908 0.43403 5.26316
97 5UC9 MYR 0.0217 0.40154 5.30973
98 5ECP ATP 0.04487 0.40196 5.38117
99 1VR0 3SL 0.005546 0.42579 5.66802
100 4M0R 644 0.02196 0.4301 5.68562
101 1OFD FMN 0.01869 0.42651 5.68562
102 1DJN FMN 0.01863 0.41579 5.68562
103 1OFD AKG 0.0252 0.41172 5.68562
104 3FAL LO2 0.04539 0.40186 5.68562
105 3EWC MCF 0.01137 0.43318 6.02007
106 2WTX UDP 0.02394 0.41421 6.02007
107 3VHE 42Q 0.04088 0.40369 6.02007
108 1MV8 GDX 0.002669 0.45937 6.35452
109 3VTF UPG 0.002674 0.45614 6.35452
110 1KDO C 0.02772 0.40206 6.60793
111 5B4B LP5 0.009478 0.43975 6.85484
112 3KTA AP5 0.0173 0.41416 6.93642
113 3AQT RCO 0.008648 0.40693 6.93878
114 4EDF UPG 0.01115 0.44699 7.02341
115 3WCA FPS 0.01483 0.42879 7.02341
116 2OKL BB2 0.006313 0.43334 7.02703
117 4IEH 1E9 0.04258 0.40282 7.10059
118 1S7G NAD 0.02729 0.4148 7.11462
119 1LRW PQQ 0.008959 0.43196 7.22892
120 3FHI ANP 0.01999 0.41416 7.35786
121 4WB6 ATP 0.02401 0.40789 7.35786
122 5CSD ACD 0.03142 0.41824 7.54717
123 4MAE PQQ 0.003632 0.45039 7.69231
124 3KJD 78P 0.01039 0.4349 7.69231
125 3LDQ 3P1 0.04023 0.40035 7.69231
126 1DB1 VDX 0.02322 0.41866 7.72201
127 3LF0 ATP 0.0218 0.40571 7.89474
128 3EE4 MYR 0.03075 0.40186 8.02676
129 1M2K APR 0.02704 0.40883 8.03213
130 1RBL CAP 0.01809 0.40492 8.25688
131 2EXX NAP 0.003488 0.46504 8.3612
132 2HGS ADP 0.01549 0.41226 8.3612
133 2CHT TSA 0.01525 0.40392 8.66142
134 3EBL GA4 0.004039 0.44956 8.69565
135 4N02 FNR 0.01324 0.42302 8.69565
136 2VG1 FPP 0.02931 0.41156 8.77193
137 1UBY DMA 0.03098 0.42134 9.36455
138 5LGA 6VH 0.01944 0.42101 9.36455
139 1L6O SER LEU LYS LEU MET THR THR VAL 0.02377 0.40385 9.47368
140 1N8V BDD 0.03713 0.41153 9.82143
141 4DR9 BB2 0.01 0.42161 9.89583
142 3B6R CRN 0.005447 0.42078 10.0334
143 1G72 PQQ 0.01919 0.40651 10.1449
144 5FM0 WAQ 0.01796 0.42634 10.3846
145 5K2M ADP 0.02725 0.40132 11.3208
146 5K04 COA 0.01529 0.42301 12.0401
147 3CX5 SMA 0.007426 0.44224 12.3077
148 1WDD CAP 0.01594 0.40641 13.7124
149 5CXI 5TW 0.008741 0.42585 13.7931
150 1UVC STE 0.044 0.40457 15.3846
151 5L9Z GUX 0.01258 0.42174 16.8831
152 4D3S BOG 0.0127 0.40218 24.2321
153 2IZ1 RES 0.000001506 0.64218 26.087
154 2IZ1 ATR 0.000005022 0.62827 26.087
155 1PGP 6PG 0.00004052 0.58116 26.7559
156 5VA6 SAH 0.01889 0.40369 27.7778
157 2W90 6PG 0.00001229 0.59787 28.7625
158 3FWN ATR 0.000001452 0.66457 30.1003
159 3FWN 6PG 0.0000004477 0.66457 30.1003
160 5VBC SAH 0.01941 0.40274 35.7143
161 1WP4 NDP 0.004194 0.46478 47.4048
162 2CVZ NDP 0.002101 0.48358 48.0969
Feedback