Receptor
PDB id Resolution Class Description Source Keywords
2P8B 1.7 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYL ARG/LYS RACEMASE FROM BACILLUS CEREUS ATCC 14579 COMPLEXED WITH N-SUCCINYL LYS. BACILLUS CEREUS ATCC 14579 ENOLASE SUPERFAMILY PREDICTION OF FUNCTION N-SUCCINYL AMINO ACID RACEMASE LYASE
Ref.: PREDICTION AND ASSIGNMENT OF FUNCTION FOR A DIVERGENT N-SUCCINYL AMINO ACID RACEMASE. NAT.CHEM.BIOL. V. 3 486 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NSK A:501;
Valid;
none;
submit data
246.26 C10 H18 N2 O5 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P8B 1.7 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYL ARG/LYS RACEMASE FROM BACILLUS CEREUS ATCC 14579 COMPLEXED WITH N-SUCCINYL LYS. BACILLUS CEREUS ATCC 14579 ENOLASE SUPERFAMILY PREDICTION OF FUNCTION N-SUCCINYL AMINO ACID RACEMASE LYASE
Ref.: PREDICTION AND ASSIGNMENT OF FUNCTION FOR A DIVERGENT N-SUCCINYL AMINO ACID RACEMASE. NAT.CHEM.BIOL. V. 3 486 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
2 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
2 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1TKK - ALA GLU n/a n/a
2 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
3 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
4 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
5 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
6 3DES - ALA PHE n/a n/a
7 3DER - ALA LYS n/a n/a
8 3DEQ - ALA LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NSK; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 NSK 1 1
2 SUO 0.804878 0.970588
3 SUG 0.588235 0.804878
4 SN0 0.577778 0.756757
5 SMG 0.530612 0.707317
6 AOR 0.416667 0.833333
7 16E 0.407407 0.828571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P8B; Ligand: NSK; Similar sites found: 289
This union binding pocket(no: 1) in the query (biounit: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.04576 0.43572 None
2 1V8K ANP 0.0002485 0.45964 1.35501
3 1VCO GLN 0.01482 0.40758 1.35501
4 1E4E PHY 0.004706 0.45462 1.45773
5 1E4E ADP 0.009715 0.43387 1.45773
6 4MOB ADP 0.005814 0.44868 1.50602
7 2VAR AMP 0.03165 0.42773 1.59744
8 1G41 ADP 0.00003901 0.42727 1.62602
9 1ZFJ IMP 0.0000000006024 0.425 1.62602
10 2NSJ C2R 0.00000005522 0.45654 1.77515
11 9LDT NAD 0.006153 0.41207 1.80723
12 1E4I NFG 0.00000915 0.52542 1.89702
13 2ZX7 ZX7 0.0002551 0.4608 1.89702
14 1VKO NAD 0.0000004617 0.44306 1.89702
15 2GWD GLU 0.01967 0.44167 1.89702
16 4G87 UD1 0.001019 0.40627 1.89702
17 3NKT 1HN 0.001228 0.44736 1.90217
18 3U1T MLI 0.04805 0.43929 1.94175
19 3V91 UPG 0.000007137 0.4601 2.06186
20 1K27 MTM 0.002875 0.42096 2.12014
21 2NZ2 CIR 0.0001967 0.47655 2.16802
22 3QV9 QV7 0.007796 0.47138 2.16802
23 2NZ2 ASP 0.0116 0.45751 2.16802
24 4C2G ALA ALA ALA ALA 0.03153 0.43156 2.16802
25 3T1A 5MA 0.02013 0.42041 2.16802
26 4AF0 MOA 0.01018 0.4186 2.16802
27 4AF0 IMP 0.0003057 0.41725 2.16802
28 2XCG XCG 0.01052 0.40623 2.16802
29 3WAS BGC BMA 0.008558 0.40504 2.16802
30 1GR0 NAD 0.00000002414 0.45844 2.17984
31 1A5Z OXM 0.00004769 0.61504 2.19436
32 1A5Z FBP 0.0002943 0.49359 2.19436
33 1A5Z NAD 0.0001897 0.42269 2.19436
34 1J2Z SOG 0.00006077 0.44281 2.22222
35 2ZB3 NDP 0.01261 0.40564 2.26629
36 1UJ2 C5P 0.02484 0.40145 2.38095
37 2WLT ASP 0.007268 0.41414 2.40964
38 2VHJ ADP 0.02336 0.41483 2.41692
39 3I8T LBT 0.0001839 0.5478 2.43902
40 1JQN DCO 0.00009545 0.46734 2.43902
41 2YP9 SIA CMO 0.007248 0.44449 2.43902
42 1KY8 NAP 0.0000001642 0.41345 2.43902
43 1KYZ SAH 0.0254 0.41609 2.46575
44 2RHW C0E 0.00006265 0.41071 2.4735
45 2Y6P CTP 0.02794 0.43035 2.5641
46 2WA4 069 0.04004 0.41941 2.5788
47 1G8S MET 0.03034 0.44538 2.6087
48 2J5S KTA 0.003263 0.45395 2.6616
49 4QDC ASD 0.00111 0.44745 2.71003
50 1UOU CMU 0.01185 0.44041 2.71003
51 1GPJ CIT 0.0401 0.43883 2.71003
52 1TFZ 869 0.03768 0.40612 2.71003
53 2C2A ADP 0.00834 0.44006 2.71318
54 1Q3P GLU ALA GLN THR ARG LEU 0.03652 0.42839 2.75229
55 3VGL ANP 0.0001635 0.44827 2.80374
56 3VGL BGC 0.0008706 0.44676 2.80374
57 4E13 NAD 0.0268 0.4097 2.82686
58 3IPQ 965 0.011 0.40555 2.82686
59 3O7B SAH 0.02742 0.41467 2.86885
60 1UNB PN1 0.000857 0.4083 2.89389
61 4JP3 CIT 0.04423 0.41736 2.92887
62 1BGV GLU 0.00007761 0.45541 2.98103
63 4EPL JAI 0.01943 0.42727 2.98103
64 1QPB PYM 0.02013 0.40266 2.98103
65 5T63 ALA ALA ALA ALA 0.0003513 0.48208 2.99728
66 3L02 SN0 0.000522 0.4458 3.06407
67 3L02 CP 0.000522 0.4458 3.06407
68 3ZZS TRP 0.0009277 0.4298 3.07692
69 4A8H PUW 0.002474 0.42684 3.09859
70 2C6Q NDP 0.01944 0.40048 3.1339
71 1EYQ NAR 0.03257 0.43086 3.15315
72 1U5R ATP 0.02291 0.42408 3.16092
73 4DEC 3PG 0.0079 0.41765 3.19767
74 4DEC UDP 0.0079 0.41765 3.19767
75 4A8T PAO 0.0000000005885 0.52102 3.24484
76 3AIQ HBO 0.0000002764 0.50723 3.25203
77 4P87 4NP 0.0007685 0.45483 3.25203
78 1JQ5 NAD 0.000000002986 0.42625 3.25203
79 2Q28 ADP 0.03325 0.4084 3.25203
80 4HE2 AMP 0.0004036 0.45246 3.25444
81 2BLE 5GP 0.006193 0.40591 3.26975
82 1DXY COI 0.00006832 0.49738 3.3033
83 1DXY NAD 0.000000008325 0.43343 3.3033
84 2ZI8 SDT 0.0002046 0.469 3.33333
85 3Q2I HP7 0.0000006112 0.45483 3.38983
86 1MZV AMP 0.0178 0.43976 3.40426
87 4W6Z ETF 0.04761 0.45043 3.45821
88 4M51 BEZ 0.01562 0.4725 3.52304
89 2JC9 ADN 0.04212 0.42913 3.52304
90 3MTW M3R 0.01833 0.4284 3.52304
91 4DA6 GA2 0.0000439 0.42604 3.55731
92 4JWX 1N4 0.008235 0.46501 3.57143
93 1Y7P RIP 0.02411 0.45074 3.58744
94 3HB5 E2B 0.005196 0.42977 3.66972
95 4IEN GDP 0.007409 0.41744 3.68098
96 1V7R CIT 0.0115 0.49491 3.76344
97 1WNG SAH 0.0341 0.40794 3.77358
98 3VCA PRO 0.006931 0.47135 3.79404
99 3TFC PEP 0.01441 0.45277 3.79404
100 3OYZ ACO 0.0007891 0.42841 3.79404
101 1Q11 TYE 0.04364 0.42834 3.79404
102 2CE7 ADP 0.03655 0.41804 3.79404
103 3IU9 T07 0.0002209 0.40382 3.81944
104 1IZC PYR 0.000001505 0.576 3.83481
105 3I0O SMI 0.01826 0.45221 3.83481
106 3DX5 DHB 0.01223 0.44755 3.84615
107 1ML4 PAL 0.0009926 0.4589 3.8961
108 4IU0 ABH 0.001459 0.45754 3.93939
109 4Q0A 4OA 0.04623 0.40491 3.97351
110 3NFZ 3NF 0.02036 0.43322 3.97554
111 4M7F BM3 0.0423 0.42903 3.9823
112 3TI8 LNV 0.0002532 0.43737 4.05063
113 3O9P MHI 0.0000001123 0.46301 4.06504
114 1TV5 N8E 0.003392 0.45324 4.06504
115 4KS1 2H8 0.0000384 0.45086 4.06504
116 1N6B DMZ 0.0002616 0.44199 4.06504
117 1GJW MAL 0.02002 0.43731 4.06504
118 1TV5 ORO 0.01639 0.42892 4.06504
119 1P1M MET 0.01007 0.42419 4.06504
120 1TV5 A26 0.01608 0.41607 4.06504
121 2FR6 CTN 0.04053 0.40738 4.10959
122 2EB5 OXL 0.01915 0.45611 4.11985
123 3CF6 SP1 0.005783 0.45066 4.19162
124 1SQ5 ADP 0.01236 0.44334 4.22078
125 3SIX GDP 0.02632 0.42799 4.24242
126 2Z5Y HRM 0.0003911 0.45905 4.33604
127 4L7I SAM 0.008137 0.44053 4.33604
128 3P7I P7I 0.01351 0.45418 4.36137
129 1XP8 AGS 0.00001201 0.46218 4.37158
130 2ZO9 MLI 0.04814 0.41724 4.37956
131 2B7N NTM 0.007367 0.47265 4.3956
132 3VOZ 04A 0.0003493 0.49965 4.44444
133 1AL8 FMN 0.000006204 0.4564 4.45682
134 1AL8 DHP 0.0001314 0.40024 4.45682
135 3MAG 3MA 0.01073 0.49674 4.56026
136 1OYB FMN 0.001887 0.44977 4.60705
137 2ZJ5 ADP 0.0228 0.44719 4.60705
138 1MVQ MMA 0.001384 0.4342 4.66102
139 2ORV 4TA 0.002312 0.4432 4.70085
140 1T0I FMN 0.01758 0.42291 4.71204
141 1LYX PGA 0.03063 0.42157 4.83871
142 3W54 RNB 0.02694 0.42413 4.86322
143 1F5F DHT 0.01115 0.43459 4.87805
144 2RDT 2RD 0.00001606 0.41583 4.87805
145 2RDT FMN 0.0002773 0.40684 4.87805
146 2OFE NAG 0.02657 0.44848 4.92958
147 1YHM AHD 0.03179 0.43966 4.97238
148 2JAR UMP 0.03505 0.4101 5
149 4M7J KDA KDO KDO 0.022 0.46102 5.02283
150 1JN2 SFP 0.000363 0.50899 5.06329
151 4Q3S X7A 0.0004075 0.46327 5.14905
152 1Z4V DAN 0.0001476 0.4611 5.14905
153 4RJK PYR 0.04297 0.44727 5.14905
154 4QCK ASD 0.002988 0.43601 5.14905
155 1FRW GTP 0.00000009085 0.43394 5.15464
156 1EB9 HBA 0.0302 0.42518 5.34351
157 2DQU CPD 0.004315 0.48183 5.35714
158 3D2Y AH0 ALA FGA LYS 0.04565 0.40515 5.36398
159 1LGT BP3 0.00000000000006983 0.45951 5.38721
160 2Z9V PXM 0.03393 0.43393 5.42005
161 2C9O ADP 0.001206 0.43361 5.42005
162 1P4C FMN 0.00001154 0.4188 5.42005
163 4L1F COS 0.01207 0.41836 5.42005
164 3HAZ FAD 0.008081 0.40802 5.42005
165 3F81 STT 0.01475 0.48069 5.46448
166 3PHQ KDO 0.0002478 0.62496 5.52995
167 1W31 SHO 0.0000000001249 0.56735 5.55556
168 2FH5 GTP 0.00004285 0.44953 5.60748
169 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.001449 0.51581 5.62771
170 2QCX PF1 0.02332 0.44668 5.70342
171 1Y0L HAN 0.0003118 0.59049 5.75221
172 2BJF DXC 0.0005486 0.42287 5.77508
173 1Y75 NAG 0.01768 0.44395 5.9322
174 2QQ0 THM 0.01525 0.4027 5.97826
175 5DRN 5CT 0.01212 0.48951 6.01852
176 1FW1 GSH 0.04249 0.41502 6.01852
177 1NVV GNP 0.02254 0.40304 6.0241
178 1FX8 BOG 0.001748 0.46943 6.04982
179 3K3G MMU 0.0004275 0.53287 6.17647
180 4BPM GSH 0.0009996 0.45381 6.17978
181 3NJQ NJQ 0.0003868 0.46577 6.21762
182 1HV9 UD1 0.0005353 0.44543 6.23306
183 1G7V PAI 0.0005568 0.42717 6.33803
184 5D6C 57S 0.003624 0.52094 6.36364
185 4L6C 0BT 0.0272 0.40692 6.43564
186 3M31 FAD 0.03234 0.40154 6.50407
187 5DTF 5CT 0.006764 0.49682 6.52174
188 1WKL ADP 0.0000002721 0.51818 6.56934
189 1WKL ATP 0.000001694 0.46797 6.56934
190 1ULE GLA GAL NAG 0.01706 0.4703 6.66667
191 2JBH 5GP 0.03534 0.42909 6.66667
192 3SHR CMP 0.02327 0.43417 6.68896
193 3NOJ PYR 0.01074 0.46165 6.72269
194 5DS8 GLY 5CT GLY ALA 0.003941 0.50649 6.75676
195 5DUB GLY 5GG GLY ALA 0.009126 0.48929 6.75676
196 1UGX GAL MGC 0.002202 0.4325 6.76692
197 1SC3 MLI 0.019 0.46764 6.81818
198 1JSH SIA GAL 0.01666 0.41546 6.81818
199 1FWY UD1 0.01207 0.40001 6.94864
200 1A8S PPI 0.004128 0.46774 6.95971
201 4DN8 BMA 0.002021 0.50814 7.05128
202 1NNS ASP 0.04134 0.42212 7.05521
203 3EJ0 11X 0.009612 0.4641 7.14286
204 3NGU ADP 0.001334 0.48342 7.28477
205 2HVK TBA 0.0001526 0.5677 7.30594
206 3ZPG 5GP 0.01282 0.4843 7.31707
207 4FUA PGH 0.0002584 0.4722 7.44186
208 1OD6 PNS 0.000006941 0.45261 7.5
209 4QDF 30Q 0.003833 0.42787 7.58808
210 3UC5 ATP 0.000002053 0.45042 7.64331
211 2F59 INI 0.03378 0.41078 7.64331
212 2OWZ F6P 0.00003286 0.46378 7.83133
213 2OWZ CIT 0.00423 0.43918 7.83133
214 2ZWS PLM 0.007937 0.51405 7.85908
215 1H16 PYR 0.01634 0.47138 7.85908
216 1JH7 UVC 0.0006537 0.42739 7.93651
217 1FNZ A2G 0.002681 0.44705 8.01688
218 1ZJ6 G3D 0.04116 0.41884 8.02139
219 3MMR ABH 0.00001299 0.43872 8.13008
220 4BG1 IVL 0.03863 0.40317 8.40108
221 4BG1 OGA 0.03863 0.40317 8.40108
222 1I0Z OXM 0.01283 0.48428 8.40841
223 2PN6 GLN 0.000000000007285 0.53227 8.66667
224 2EJU SAH 0.0172 0.42332 8.67209
225 1K97 ASP 0.000003594 0.4062 8.67209
226 1K97 CIR 0.000003594 0.4062 8.67209
227 2RHQ GAX 0.02701 0.40705 8.94309
228 4LIT AKG 0.0239 0.44612 9.21409
229 2QF7 COA 0.04834 0.41243 9.21409
230 1O7N IND 0.002214 0.45035 9.27835
231 2GN2 C5P 0.0001469 0.51591 9.4851
232 4A3R CIT 0.0009472 0.40384 9.4851
233 1XX4 BAM 0.002229 0.49642 9.57854
234 1NXJ GLV 0.003251 0.47996 9.83607
235 1NXJ TLA 0.01943 0.42566 9.83607
236 3DUR KDO 0.02169 0.44379 9.91736
237 4NTX AMR 0.04592 0.4292 10
238 3IJH KO2 0.008846 0.47123 10.0457
239 43CA NPO 0.04634 0.46752 10.2564
240 1JCM 137 0.0004871 0.45568 10.4247
241 2PR5 FMN 0.01217 0.42972 10.6061
242 2YFT DQR 0.01843 0.4283 10.8401
243 2BMK PDD 0.01212 0.46955 11.2676
244 4HPP GLU 0.000001525 0.5184 11.3821
245 4O8A 2OP 0.01171 0.48661 11.3821
246 4O8A FAD 0.005444 0.41389 11.3821
247 3KJQ B94 0.03113 0.42457 11.5854
248 2R5T ANP 0.04265 0.40139 11.6531
249 4TMK T5A 0.00000001287 0.40851 11.7371
250 3HF3 FMN 0.02993 0.40773 11.7479
251 2Q37 3AL 0.004921 0.4817 12.1547
252 1YBQ BDH 0.0001448 0.45547 12.4661
253 1ONX ASP 0.001432 0.44491 12.4661
254 2W24 LYS 0.003261 0.42647 12.6667
255 3V1V GST 0.02316 0.42076 13.0081
256 2QLX RM4 0.01685 0.46458 13.8889
257 1Y2W NAG 0.0446 0.43633 14.0845
258 4LO6 SIA GAL 0.013 0.47385 14.2105
259 1KTC NGA 0.01278 0.45539 14.3631
260 2FYU FDN 0.03105 0.41236 14.5161
261 3WSJ MK1 0.0002017 0.42199 14.6552
262 3BHO B4P 0.03668 0.46388 14.9038
263 4IMG NGF 0.03122 0.40955 15.0171
264 1K6M AGS 0.03547 0.40227 15.7182
265 2E1A MSE 0.03671 0.42828 16
266 4LKK SIA GAL 0.0004748 0.48934 16.0714
267 1YRX FMN 0.005092 0.45707 16.5289
268 2WL9 MBD 0.0002174 0.48235 16.7213
269 2P2V CSF 0.00002694 0.44016 18.75
270 1SJW NGV 0.02651 0.42125 18.75
271 2HXT EHM 0.0002009 0.42535 19.2412
272 1F7K UMP 0.005924 0.42899 23.5294
273 1EC9 XYH 0.0004017 0.46441 25.2033
274 4PNO U5P 0.000003904 0.59803 27.7778
275 1N9L FMN 0.03261 0.41144 28.4404
276 4NM5 ADP 0.03119 0.40453 29.1667
277 2PP3 LGT 0.00008807 0.4386 29.5393
278 4CCO OGA 0.01653 0.44976 30
279 4KGM ATP 0.04716 0.41604 30.6122
280 1R6W 164 0.00003595 0.46429 31.677
281 2DW7 SRT 0.0002159 0.40754 32.7913
282 1O9U ADZ 0.01638 0.47801 33.3333
283 3P3N AKG 0.04753 0.43482 35
284 3UXL CFI 0.0005096 0.46788 37.1274
285 2GGH NLQ 0.0000003272 0.52821 42.0054
286 3R1Z ALA DGL 0.00000002821 0.55909 44.7154
287 3R1Z ALA GLU 0.0000003197 0.51245 44.7154
288 1SJD NPG 0.00000001173 0.6394 44.837
289 3DGB MUC 0.000000003032 0.57819 49.5935
Feedback