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Receptor
PDB id Resolution Class Description Source Keywords
2OEM 1.7 Å EC: 5.3.2.- CRYSTAL STRUCTURE OF A RUBISCO-LIKE PROTEIN FROM GEOBACILLUS KAUSTOPHILUS LIGANDED WITH MG2+ AND 2,3-DIKETOHEXANE 1-PHOS GEOBACILLUS KAUSTOPHILUS RUBISCO-LIKE PROTEIN ENOLASE" ISOMERASE"
Ref.: MECHANISTIC DIVERSITY IN THE RUBISCO SUPERFAMILY: T "ENOLASE" IN THE METHIONINE SALVAGE PATHWAY IN GEOB KAUSTOPHILUS. BIOCHEMISTRY V. 46 4077 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1AE A:901;
B:902;
Valid;
Valid;
none;
none;
submit data
210.122 C6 H11 O6 P CCCC(...
MG A:911;
B:912;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OEM 1.7 Å EC: 5.3.2.- CRYSTAL STRUCTURE OF A RUBISCO-LIKE PROTEIN FROM GEOBACILLUS KAUSTOPHILUS LIGANDED WITH MG2+ AND 2,3-DIKETOHEXANE 1-PHOS GEOBACILLUS KAUSTOPHILUS RUBISCO-LIKE PROTEIN ENOLASE" ISOMERASE"
Ref.: MECHANISTIC DIVERSITY IN THE RUBISCO SUPERFAMILY: T "ENOLASE" IN THE METHIONINE SALVAGE PATHWAY IN GEOB KAUSTOPHILUS. BIOCHEMISTRY V. 46 4077 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OEM - 1AE C6 H11 O6 P CCCC(=O)/C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OEM - 1AE C6 H11 O6 P CCCC(=O)/C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OEM - 1AE C6 H11 O6 P CCCC(=O)/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1AE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1AE 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OEM; Ligand: 1AE; Similar sites found with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 2oem.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5YRM BGC GLC None
2 5YRL GLC GLC None
3 4WZH FMN 1.44092
4 3OIX FMN 1.44928
5 1PS9 FMN 1.69492
6 2Q3O FMN 1.79028
7 3GGO NAI 1.91083
8 3GGO ENO 1.91083
9 4AP3 NAP 1.93705
10 4AP3 FAD 1.93705
11 5BUK FAD 1.93705
12 2HSA FMN 1.99005
13 2C6Q NDP 1.9943
14 2C6Q IMP 1.9943
15 6MPT C30 2.0979
16 6BKA FMN 2.13904
17 4Z87 5GP 2.17918
18 2F5Z FAD 2.17918
19 6BFG FMN 2.25564
20 6GAR FAD 2.29226
21 2Q8Z NUP 2.33918
22 1P4C FMN 2.36842
23 2GJN NIS 2.43902
24 2GJN FMN 2.43902
25 4R5Z SIN 2.45232
26 4ORM FMN 2.49377
27 4ORM ORO 2.49377
28 4ORM 2V6 2.49377
29 1AL8 FMN 2.50696
30 1AL8 DHP 2.50696
31 4Q4K FMN 2.52101
32 1ICP FMN 2.65957
33 4CW5 FMN 2.66344
34 2RAB FAD 2.66344
35 1F76 FMN 2.67857
36 3BW2 FMN 2.71003
37 6BVE PGA 2.85714
38 2Y88 2ER 2.86885
39 3LAD FAD 2.90557
40 4UTU LRY 3.05677
41 5JBX MLI 3.06513
42 1JCM 137 3.0888
43 2RDT 2RD 3.10078
44 2RDT FMN 3.10078
45 2GNB MAN 3.1746
46 3AYI HCI 3.19001
47 1LYX PGA 3.22581
48 1LBF 137 3.23887
49 2Z6I FMN 3.31325
50 3MJY FMN 3.46821
51 3MJY IJZ 3.46821
52 4UTW RFW 3.49345
53 4HKP TKW 3.52564
54 5CSS G3P 3.53982
55 2Z6J FMN 3.61446
56 1ITZ TPP 3.63196
57 2FLI DX5 3.63636
58 3WMX THR 3.91061
59 3MI2 PFU 3.94265
60 3QXV MTX 3.96825
61 1TRD PGH 4
62 3HF3 FMN 4.01146
63 5EYW PGA 4.01606
64 5J5R IMP 4.11311
65 5J5R 6G1 4.11311
66 5YRG BGC GLC 4.22535
67 5YRJ BGC GLC 4.22535
68 2QCD U5P 4.23077
69 2I0G I0G 4.28016
70 4NJH SAM 4.34783
71 4NJH 2K8 4.34783
72 1GTE FMN 4.35835
73 1GTE IUR 4.35835
74 2TPS TPS 4.40529
75 5GVH FMN 4.4586
76 3C3N FMN 4.48718
77 2ZRU FMN 4.61957
78 1SW0 PGA 4.83871
79 4Z0G 5GP 4.84262
80 2YPI PGA 4.8583
81 4JEJ 1GP 4.91803
82 1XXR MAN 4.96894
83 1CX9 NHP 5.03778
84 3B0P FMN 5.14286
85 2BTM PGA 5.15873
86 3CTL S6P 5.19481
87 3TAO PGH 5.24345
88 5XFV FMN 5.38922
89 3EXS 5RP 5.42986
90 1OVD FMN 5.46624
91 1OVD ORO 5.46624
92 4IXH IMP 5.54017
93 5FJN FAD 5.81114
94 5FJN BE2 5.81114
95 4IGH 1EA 5.81114
96 4IGH FMN 5.81114
97 4IGH ORO 5.81114
98 4QNW FMN 5.81114
99 1UUO BRF 5.91398
100 5TQZ GLC 6
101 5TCI MLI 6.34146
102 1GXU 2HP 6.59341
103 1QDS PGA 6.77291
104 1TB3 FMN 6.81818
105 1OX5 1PR 7.02179
106 4AF0 IMP 7.02179
107 1OFD FMN 7.26392
108 1OFD AKG 7.26392
109 4M52 FAD 7.26392
110 2BJ4 OHT 7.53968
111 4TV1 36M 7.56972
112 2QE4 JJ3 7.66129
113 3VSV XYP 7.74818
114 2HYQ MAN MAN 8.19672
115 4EWN 0VR 8.3004
116 4NAE 1GP 8.44444
117 3KRU FMN 8.45481
118 2FT0 ACO 8.51064
119 4J56 FAD 8.77193
120 4BI7 PGA 8.94942
121 2VZZ SCA 9.17431
122 5A5W GUO 9.48617
123 1X1Z BMP 9.52381
124 1EP2 FMN 9.96785
125 1EP2 ORO 9.96785
126 1DQX BMP 10.1124
127 2F6U CIT 10.2564
128 1LOR BMP 10.5263
129 2PHN GDP 10.6299
130 3VKC FPQ 10.8392
131 5JDA AMP 12.2563
132 4MNS 2AX 12.5786
133 3OVR 5SP 14.0351
134 4YMZ 13P 15.1394
135 3QH2 3NM 20.362
136 1Q6O LG6 22.2222
137 1M5W DXP 22.6337
138 5N9Z CAP 34.1404
139 5OYA CAP 35.8354
140 1BWV CAP 36.5617
141 1RBO CAP 40.1937
142 1IR1 CAP 40.4358
143 2V6A CAP 40.678
144 2V63 CAP 40.9201
145 1IR2 CAP 40.9201
146 1UZD CAP 40.9201
147 1UZH CAP 40.9201
148 2V67 CAP 40.9201
149 2V68 CAP 40.9201
150 1GK8 CAP 40.9201
151 2VDH CAP 41.1622
152 1RBL CAP 41.6465
153 3AXK NDP 42.1307
154 1WDD CAP 42.1307
155 3AXM 6PG 42.1307
156 3KDN CAP 48.6683
Pocket No.: 2; Query (leader) PDB : 2OEM; Ligand: 1AE; Similar sites found with APoc: 258
This union binding pocket(no: 2) in the query (biounit: 2oem.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPE FAD 1.21065
2 1RYD NDP 1.29199
3 5YF1 8V0 1.38122
4 5YF1 SFG 1.38122
5 1V59 FAD 1.45278
6 4XYB NDP 1.53453
7 5EB4 FAD 1.69492
8 1GET NAP 1.69492
9 1GET FAD 1.69492
10 2HQM FAD 1.69492
11 3GD4 FAD 1.69492
12 3GD4 NAD 1.69492
13 4TM3 FAD 1.69492
14 4ZG4 VO4 ADP 1.69492
15 2UZ1 TPP 1.69492
16 2I6A 5I5 1.73913
17 6GAS FAD 1.81269
18 1NN5 ANP 1.86047
19 1NN5 2DT 1.86047
20 1JV1 UD1 1.93705
21 6D6Y SAH 1.93705
22 1Q1R FAD 1.93705
23 1BZL FAD 1.93705
24 5UY8 8UM 1.93705
25 5UY8 AMZ 1.93705
26 3LL5 IPE 2.00803
27 3LL5 ADP 2.00803
28 5TWB FAD 2.03488
29 1G55 SAH 2.04082
30 5YJI SAH 2.11268
31 1YY5 FAD 2.17918
32 4FWE FAD 2.17918
33 3C6K SPD 2.17918
34 3C6K MTA 2.17918
35 2YQS UD1 2.17918
36 3QVP FAD 2.17918
37 1VA6 ADP 2.17918
38 4IV9 FAD 2.17918
39 4TQK NAG 2.21675
40 3AB1 FAD 2.22222
41 4AZJ SEP PLP 2.22222
42 3NW7 LGV 2.28013
43 3TFC PEP 2.33766
44 3FPF TNA 2.34899
45 3FPF MTA 2.34899
46 3LZW NAP 2.40964
47 3LZW FAD 2.40964
48 2WET FAD 2.42131
49 4AUT FAD 2.42131
50 5I0H ADP BEF 2.42131
51 2HKJ RDC 2.42131
52 1XHC FAD 2.45232
53 1QPR PPC 2.46479
54 2R42 FPS 2.53165
55 2HK9 NAP 2.54545
56 1ELU CSS 2.5641
57 1ELU PDA 2.5641
58 2CUL FAD 2.58621
59 4M00 SUC 2.5878
60 3X0V FAD 2.66344
61 2RAB NAD 2.66344
62 5J7X FAD 2.66344
63 4ZLU ADP 2.66344
64 4ZLU 4PW 2.66344
65 1HPG BOC ALA ALA PRO GLU 2.6738
66 3GD8 GOL 2.69058
67 1KYZ SAH 2.73973
68 3EWA ANP 2.79503
69 3FYH ADP 2.79503
70 5J60 FAD 2.8125
71 4KRI SAH 2.90557
72 1ZK7 FAD 2.90557
73 4XVX P33 FDA 2.90557
74 5WP5 SAH 2.90557
75 1COY AND 2.90557
76 1YNH SUO 2.90557
77 4DSG UDP 2.90557
78 4DSG FAD 2.90557
79 3VZ3 SSN 2.90557
80 4YDU ADP 2.95359
81 3ITJ FAD 2.95858
82 1RZM PEP 2.95858
83 5MB4 NDG 2.99252
84 5MB4 NAG 2.99252
85 3I53 SAH 3.01205
86 4PLT OXM 3.02115
87 4PLT NAI 3.02115
88 2ZKJ ADP 3.04569
89 2AOT SAH 3.08219
90 1JQD SAH 3.08219
91 4OBW SAM 3.11284
92 3G6N MET ALA SER 3.14136
93 5HSA FAS 3.1477
94 5YB7 FAD 3.1477
95 5YB7 ORN 3.1477
96 1T9D P22 3.1477
97 5WKC TP9 3.1477
98 4BR5 ANP 3.1477
99 2Q0L FAD 3.21543
100 3FG2 FAD 3.21782
101 3WLE NAD 3.22581
102 5I60 67W 3.25203
103 4DXD GDP 3.28283
104 4USR FAD 3.3241
105 4YMH SAH 3.33333
106 4YKG NAD 3.38983
107 4YKG FAD 3.38983
108 2ZXI FAD 3.38983
109 4GA6 AMP 3.38983
110 4B2D FBP 3.38983
111 4QYS PLP SEP 3.38983
112 1OXV ANP 3.39943
113 2UUU PL3 3.63196
114 2UUU FAD 3.63196
115 4D7E FAD 3.63196
116 5MIT FAD 3.66972
117 5MIT NAP 3.66972
118 4RIF 3R2 3.69393
119 5X62 SAH 3.69458
120 3R51 MMA 3.75
121 4PVR ASP 3.87097
122 4EU7 COA 3.87409
123 4EU7 CIT 3.87409
124 1MO9 KPC 3.87409
125 1MO9 FAD 3.87409
126 3NYC FAD 3.93701
127 3NYC IAR 3.93701
128 1V84 UDP 3.95257
129 6APL C5P 4.01069
130 3N8K D1X 4.06977
131 2WL4 COA 4.08163
132 1S16 ANP 4.10256
133 5THZ SAH 4.11622
134 5THY SAH 4.11622
135 2BES RES 4.11622
136 1FEC FAD 4.11622
137 2V58 LZJ 4.11622
138 4NNB OAA 4.11622
139 1FL2 FAD 4.19355
140 3GZ8 APR 4.32099
141 4UTG ANP 4.33526
142 2WKV COA 4.33673
143 2WKT COA 4.33673
144 1H82 GZZ 4.35835
145 1H82 FAD 4.35835
146 3W8X FAD 4.35835
147 3W8X FTK 4.35835
148 4C3Y ANB 4.35835
149 4C3Y FAD 4.35835
150 3H8V ATP 4.45205
151 5F7R GLC GLC 4.45545
152 3WBF NAP 4.59016
153 5J5Z FAD 4.60048
154 2IHU TP9 4.60048
155 1KY8 NAP 4.60048
156 2IHT TPP 4.60048
157 4JDR FAD 4.60048
158 5HV0 AKG 4.60829
159 3CU0 UDP 4.62633
160 3TMK T5A 4.62963
161 6CZY PMP 4.69613
162 1PVN MZP 4.78723
163 1E6E FAD 4.84262
164 3EYA FAD 4.84262
165 3EYA TDP 4.84262
166 4URL XAM 4.92611
167 3CPJ GDP 4.93274
168 1ZEM NAD 4.96183
169 5A04 NDP 5.01475
170 5A04 BGC 5.01475
171 4ZCC FAD 5.05952
172 5EXE 5SR 5.07937
173 5KZD RCJ 5.11945
174 2BHZ MAL 5.32688
175 1NAA 6FA 5.32688
176 4O12 2QG 5.56901
177 4EMI FAD 5.60976
178 2OOR TXP 5.74713
179 4JB1 FAD 5.88235
180 4JB1 NAP 5.88235
181 3F8D FAD 5.88235
182 5YJF 8WO 5.98592
183 5YJF SAH 5.98592
184 2EV9 NAP 6.08365
185 2EV9 SKM 6.08365
186 2H8Z 8CM 6.12813
187 2H8Z FMN 6.12813
188 4IMG NGF 6.14334
189 3DJF BC3 6.27178
190 2OBF SAH 6.57439
191 2OBF F83 6.57439
192 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 6.66667
193 2NVA PL2 6.72043
194 3GDN HBX 6.77966
195 3GDN FAD 6.77966
196 5JWI ARG GLU 6.77966
197 4NOS ITU 6.77966
198 6AMI TRP 6.81818
199 2VBA P4T 6.89655
200 3AD8 PYC 6.89655
201 3AD8 FAD 6.89655
202 3UWV 2PG 6.89655
203 4WKC BIG 6.93878
204 1N62 FAD 6.94444
205 3LDQ 3P1 7.01754
206 3BXO SAM 7.11297
207 3QDL FMN 7.14286
208 2PT9 2MH 7.16511
209 2PT9 S4M 7.16511
210 2O07 MTA 7.23684
211 2O07 SPD 7.23684
212 3PT9 SAH 7.26392
213 5MPT SAH 7.50605
214 1D1T NAD 7.5067
215 3ZLB ANP 7.53769
216 3T31 FAD 7.74818
217 3T31 DCQ 7.74818
218 1KK8 BEF ADP 7.91367
219 6AYR BIG 7.98319
220 1F74 NAY 8.19113
221 2YG3 FAD 8.23245
222 4EMJ FAD 8.41121
223 1V3S ATP 8.62069
224 3BFV ADP 8.85609
225 1NM5 NAD 8.86699
226 2GAG FOA 9.09091
227 1DL5 SAH 10.0946
228 4R5M NAP 10.1064
229 4YRY FAD 10.1449
230 1QZR ANP 10.1695
231 2GDJ ANP 10.2273
232 5TH5 MET 10.2662
233 2QCS ANP 10.3093
234 3RNM FAD 10.3448
235 4BV6 FAD 10.6538
236 1UU1 PMP HSA 11.0448
237 6GFK SAH 11.1554
238 3QFA FAD 11.2069
239 4LNU GTP 11.2426
240 4GUS FAD 11.2903
241 4HSU FAD 11.2903
242 4GUT FAD 11.2903
243 3CTY FAD 11.9122
244 2OFW ADX 12.5
245 2QTV GNP 12.5749
246 3SQP FAD 13.3172
247 6FP4 E1T 13.8015
248 6FP4 FAD 13.8015
249 4CNK FAD 13.8107
250 3GDH SAH 14.5228
251 1DUB CAA 15.3257
252 1PNO NAP 15.5556
253 1RM6 FAD 16.1491
254 3O61 GDD 19.3717
255 3OU2 SAH 21.1009
256 1D4O NAP 23.913
257 1DJL NAP 24.6377
258 4QTU SAM 27.4074
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