Receptor
PDB id Resolution Class Description Source Keywords
3ANK 2.02 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF UNSATURATED GLUCURONYL HYDROLASE MUTANT FROM STREPTCOCCUS AGALACTIAE COMPLEXED WITH DGLCA-GALNAC6S STREPTOCOCCUS AGALACTIAE ALPHA6/ALPHA6-BARREL HYDROLASE
Ref.: STRUCTURAL DETERMINANTS IN STREPTOCOCCAL UNSATURATE GLUCURONYL HYDROLASE FOR RECOGNITION OF GLYCOSAMINO SULFATE GROUPS J.BIOL.CHEM. V. 286 6262 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:3318;
A:401;
A:402;
A:403;
A:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NG6 GCD A:399;
Valid;
none;
submit data
457.365 n/a [S+2]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ANK 2.02 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF UNSATURATED GLUCURONYL HYDROLASE MUTANT FROM STREPTCOCCUS AGALACTIAE COMPLEXED WITH DGLCA-GALNAC6S STREPTOCOCCUS AGALACTIAE ALPHA6/ALPHA6-BARREL HYDROLASE
Ref.: STRUCTURAL DETERMINANTS IN STREPTOCOCCAL UNSATURATE GLUCURONYL HYDROLASE FOR RECOGNITION OF GLYCOSAMINO SULFATE GROUPS J.BIOL.CHEM. V. 286 6262 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3ANK - NG6 GCD n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3ANK - NG6 GCD n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2FV0 - BGC RAM BGC GAD n/a n/a
2 2AHG - UCD C14 H21 N O11 CC(=O)N[C@....
3 2FV1 - GAD NDG n/a n/a
4 3ANK - NG6 GCD n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NG6 GCD; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 NG6 GCD 1 1
2 GCD NG6 1 1
3 GAD NDG 0.746667 0.761905
4 NGA GCD 0.746667 0.761905
5 GCD NGA 0.746667 0.761905
6 NAG GAD 0.746667 0.761905
7 NGK GCD 0.635294 0.952381
8 GCD ASG 0.635294 0.952381
9 UCD 0.585366 0.746032
10 ASG BDP ASG GCD 0.495413 0.923077
11 L42 0.457447 0.878788
12 HS2 0.444444 0.730159
13 G6S NAG 0.43956 0.920635
14 ASG BDP GCD NG6 0.420168 0.909091
15 A2G GAL 0.416667 0.698413
16 GAL NGA 0.416667 0.698413
17 GAL A2G 0.416667 0.698413
18 NAG BDP 0.404494 0.730159
19 BGC RAM BGC GAD 0.403846 0.603175
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ANK; Ligand: NG6 GCD; Similar sites found: 205
This union binding pocket(no: 1) in the query (biounit: 3ank.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XHL NDP 0.01135 0.40758 1.0101
2 3ZRR PXG 0.003725 0.41077 1.30208
3 1O68 KIV 0.002171 0.41698 1.45455
4 2CKM AA7 0.002705 0.44367 1.50754
5 2AMV BIN 0.01564 0.41761 1.50754
6 3BK2 U5P 0.0009093 0.41228 1.50754
7 3UH0 TSB 0.006624 0.40613 1.50754
8 1B9I PXG 0.008711 0.40138 1.54639
9 1RYD GLC 0.005407 0.41242 1.55039
10 1UAY ADN 0.000592 0.40963 1.65289
11 2C7G ODP 0.01585 0.42028 1.75879
12 2JC9 ADN 0.00304 0.41116 1.75879
13 1H0C AOA 0.005653 0.41789 1.78571
14 3LZW NAP 0.0264 0.41238 1.80723
15 3LZW FAD 0.02056 0.40308 1.80723
16 2QCX PF1 0.005531 0.40618 1.90114
17 2NLI FMN 0.03606 0.40154 1.90217
18 2NLI LAC 0.03606 0.40154 1.90217
19 2YVF NAD 0.003312 0.45488 2.01005
20 2YVF FAD 0.003194 0.45488 2.01005
21 4C0C WVH 0.02829 0.40237 2.01005
22 1R37 NAD 0.01854 0.40092 2.01729
23 2Z9V PXM 0.005236 0.40175 2.04082
24 1HFA PIO 0.006622 0.44302 2.07612
25 3IB8 AMP 0.002689 0.40777 2.12121
26 1SOW NAD 0.00122 0.44774 2.13415
27 2BGM NAJ 0.01476 0.42305 2.15827
28 3GJB AKG 0.002163 0.41149 2.19436
29 1C0I FAD 0.02865 0.40294 2.20386
30 1C0I BE2 0.02865 0.40294 2.20386
31 4RJK PYR 0.003816 0.45974 2.26131
32 2GSD NAD 0.002994 0.43527 2.26131
33 1KOL NAD 0.008093 0.41824 2.26131
34 2Y0I AKG 0.0007726 0.40075 2.27273
35 4B7E OGA 0.0007885 0.44109 2.29226
36 1H2K OGA 0.00192 0.43168 2.29226
37 3P3N AKG 0.001995 0.43097 2.29226
38 2WA4 069 0.001297 0.40667 2.29226
39 1XX4 BAM 0.004378 0.43781 2.29885
40 1PEA ACM 0.009529 0.41426 2.33766
41 2CSN CKI 0.002487 0.42637 2.3569
42 3H22 B53 0.002606 0.40328 2.3569
43 1P72 THM 0.001768 0.42054 2.39521
44 1VDC FAD 0.02333 0.40843 2.4024
45 3PJU C2E 0.005103 0.41528 2.40964
46 4COQ SAN 0.003371 0.42121 2.42915
47 3ZY6 GFB 0.007348 0.401 2.48619
48 4K30 NLG 0.004321 0.40507 2.5
49 1QF5 RPL 0.006952 0.43146 2.51256
50 1QF5 GDP 0.006952 0.43146 2.51256
51 2VJJ RAM GLC GAL NAG NAG GLC 0.009337 0.42708 2.51256
52 3CQD ATP 0.008822 0.41771 2.589
53 1WRA PC 0.006441 0.41537 2.5974
54 2X61 NGA GAL SIA 0.03875 0.4042 2.71318
55 3MB5 SAM 0.02756 0.40673 2.7451
56 3O03 NAP 0.02014 0.417 2.74914
57 1JH7 UVC 0.002091 0.42362 2.76382
58 2H6T IVA VAL VAL STA ALA STA 0.003747 0.4067 2.76382
59 2DKH FAD 0.01671 0.40172 2.76382
60 1NN5 ANP 0.009147 0.40902 2.7907
61 1NN5 2DT 0.009147 0.40902 2.7907
62 3DX5 DHB 0.00154 0.41179 2.7972
63 4TMK T5A 0.01653 0.40078 2.8169
64 1TDF NAP 0.03079 0.41578 2.8481
65 3F3E LEU 0.002494 0.44091 2.89017
66 1T8U UAP SGN IDS SGN 0.009064 0.41824 2.94118
67 1T8U A3P 0.003698 0.41089 2.94118
68 9LDB NAD 0.002679 0.43229 3.01205
69 9LDT OXM 0.01025 0.42784 3.01205
70 1TIW TFB 0.00672 0.42376 3.01508
71 1TIW FAD 0.00672 0.42376 3.01508
72 4O8A 2OP 0.01782 0.40821 3.01508
73 4BAS GNP 0.007242 0.40125 3.01508
74 1NU4 MLA 0.007056 0.4455 3.09278
75 1JUV NDP 0.01104 0.40168 3.10881
76 1E7S NAP 0.006774 0.4169 3.11526
77 4NES UDP 0.003237 0.40915 3.20856
78 4NES UD1 0.006121 0.40045 3.20856
79 1UXG NAD 0.01395 0.41026 3.23625
80 1UXG FUM 0.01395 0.41026 3.23625
81 1R27 MGD 0.007167 0.42046 3.26633
82 3R35 4CO 0.01553 0.40075 3.31126
83 2GDZ NAD 0.006728 0.41451 3.37079
84 1JN2 SFP 0.01806 0.42277 3.37553
85 1I2B USQ 0.004113 0.44629 3.46535
86 1I2B NAD 0.004113 0.44629 3.46535
87 1I2B UPG 0.004113 0.44629 3.46535
88 3E6J DR2 0.0294 0.40093 3.49345
89 2ZWS PLM 0.02097 0.42018 3.51759
90 3VPD ANP 0.003097 0.41578 3.55872
91 1YHM AHD 0.005756 0.40546 3.59116
92 3OZG SSI 0.0007678 0.43087 3.6
93 5EQU AKG 0.01291 0.40812 3.60656
94 3GE7 AFQ 0.01622 0.40227 3.62694
95 1V35 NAI 0.01814 0.4082 3.64742
96 2QLX RM4 0.01188 0.4035 3.7037
97 1Y1A GSH 0.004431 0.45988 3.82514
98 1DSS NAD 0.007279 0.40758 3.9039
99 2VQ5 LDP 0.007207 0.42732 3.9801
100 3ZS7 ATP 0.003158 0.41724 4
101 1JA9 NDP 0.0151 0.42888 4.0146
102 3L24 GOA 0.001053 0.46775 4.0201
103 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01631 0.40927 4.0201
104 4EXO PYR 0.0007164 0.46637 4.10959
105 1FIQ SAL 0.006737 0.417 4.10959
106 1FIQ MTE 0.01052 0.40652 4.10959
107 1FDJ 2FP 0.002471 0.40673 4.13223
108 3P0K FAD 0.001459 0.43051 4.13534
109 4DXJ IPE 0.0009469 0.41322 4.14365
110 3H86 AP5 0.02034 0.40986 4.16667
111 1Y9Q MED 0.00992 0.40111 4.16667
112 4JCA CIT 0.005288 0.44244 4.19162
113 1I0Z OXM 0.01149 0.41748 4.2042
114 2OFE NAG 0.009951 0.40105 4.22535
115 4GYW UDP 0.000605 0.46034 4.27136
116 1H16 PYR 0.003682 0.43343 4.27136
117 1V7R CIT 0.007011 0.43622 4.30108
118 1QH9 LAC 0.005739 0.41131 4.31034
119 2B4Q NAP 0.0005031 0.46074 4.34783
120 1GSA ADP 0.02299 0.4087 4.43038
121 1RZM PEP 0.003352 0.40947 4.43787
122 1RZM E4P 0.01215 0.40305 4.43787
123 4O1M NAD 0.003541 0.42597 4.44444
124 4R33 SAH 0.007863 0.4154 4.52261
125 4R33 TRP 0.007863 0.4154 4.52261
126 3GWT 066 0.007751 0.41324 4.53258
127 1QO0 BMD 0.006088 0.41021 4.59184
128 1R6W 164 0.0004381 0.40687 4.65839
129 3P7I P7I 0.001507 0.42329 4.6729
130 3DCM SAM 0.003439 0.41212 4.6875
131 2ZJF BSU 0.003119 0.40037 4.69613
132 1Q3Q ANP 0.03201 0.40795 4.77387
133 4B16 NAG 0.02241 0.41051 4.88722
134 3DDC GNP 0.00226 0.42804 4.90798
135 3D3W NAP 0.0046 0.4251 4.91803
136 4E28 0MZ 0.00524 0.40715 4.92308
137 4E28 9MZ 0.008469 0.40406 4.92308
138 1Y2W NAG 0.006017 0.41043 4.92958
139 2VDJ HSE 0.0009026 0.46172 4.98339
140 1QJC PNS 0.03529 0.40372 5.06329
141 2WQP WQP 0.004115 0.41907 5.15759
142 3MAG 3MA 0.01766 0.41581 5.21173
143 1TUV VK3 0.008576 0.42365 5.26316
144 4N02 FNR 0.03865 0.4016 5.32213
145 1ULE GLA GAL NAG 0.004332 0.43016 5.33333
146 1DLJ UGA 0.002435 0.45308 5.52764
147 1DLJ NAI 0.002506 0.45253 5.52764
148 4NTD FAD 0.01004 0.41634 5.58824
149 1KWK GAL 0.002761 0.41388 6.03015
150 3TKA CTN 0.001002 0.50878 6.05187
151 1T26 GBD 0.01163 0.44433 6.21118
152 1T26 NAI 0.01163 0.44433 6.21118
153 1BGQ RDC 0.003905 0.41999 6.22222
154 3IB9 BTN 0.004823 0.4244 6.28141
155 3BLI ACO 0.008311 0.40058 6.52819
156 3ZGE ASP 0.008982 0.41546 6.53266
157 3A2Q ACA ACA 0.005241 0.40108 6.53266
158 1C1L GAL BGC 0.0007754 0.45628 6.56934
159 1JAC AMG 0.004215 0.44743 6.76692
160 4QVH FLC 0.02782 0.41566 6.78392
161 3C1O NAP 0.006454 0.40816 6.85358
162 3HY3 10F 0.006161 0.40739 6.89655
163 3GM5 CIT 0.001903 0.43184 6.91824
164 1EDO NAP 0.0384 0.41026 6.96721
165 1Z44 NPO 0.04127 0.4043 7.10059
166 2J7T 274 0.002281 0.4324 7.28477
167 4WBD CIT 0.001194 0.45609 7.53769
168 3QDY CBS 0.003793 0.42561 7.69231
169 3SQG COM 0.0119 0.42453 7.78894
170 4F4S EFO 0.003701 0.40775 7.89474
171 4PO2 ASN ARG LEU LEU LEU THR GLY 0.004866 0.41308 8.08511
172 3HZS M0E 0.02326 0.40353 8.13397
173 4M51 BEZ 0.01362 0.40705 8.19672
174 1WVG APR 0.008851 0.40415 8.35655
175 1XE7 GUN 0.005977 0.43126 8.37438
176 3S9K CIT 0.003162 0.45736 8.47458
177 1B8U OAA 0.004482 0.42434 8.51064
178 1T0S BML 0.004111 0.43122 8.79397
179 1KBJ FMN 0.003793 0.41899 8.79397
180 2V5E SCR 0.007102 0.43593 8.91089
181 3F81 STT 0.01041 0.41249 9.28962
182 4LWM MHO 0.03332 0.41752 9.67742
183 2D37 NAD 0.002168 0.43184 10.2273
184 4P3H 25G 0.02885 0.402 10.3627
185 2ALG HP6 0.00262 0.41864 10.8696
186 2ALG DAO 0.00262 0.41864 10.8696
187 2XI7 XI7 0.004231 0.45735 11.413
188 2PT9 2MH 0.006301 0.42058 11.5265
189 2GJ3 FAD 0.01166 0.40529 11.6667
190 3SCH TB6 0.007557 0.40618 12.1212
191 1B74 DGN 0.01543 0.40452 12.2047
192 1U7Z PMT 0.006865 0.41786 12.8319
193 1JGS SAL 0.04776 0.40085 13.0435
194 1H2M OGA 0.001741 0.4335 13.4615
195 4M5P MLA 0.003776 0.44985 14.3216
196 4M5P 23W 0.004784 0.42816 14.3216
197 1SS4 CIT 0.02759 0.43353 15.0327
198 1SS4 GSH 0.03624 0.41271 15.0327
199 2HMT NAI 0.0161 0.41551 15.2778
200 3FS8 TDR 0.006346 0.4487 16.4835
201 1WGC SIA GAL BGC 0.0223 0.41062 18.7134
202 3R51 MMA 0.007986 0.42516 18.75
203 4N7C AEF 0.001557 0.44282 19.3182
204 2V7T SAH 0.009769 0.44603 21.0702
205 1BTN I3P 0.002434 0.47387 28.3019
Feedback