Receptor
PDB id Resolution Class Description Source Keywords
1DBO 1.7 Å EC: 4.2.2.4 CRYSTAL STRUCTURE OF CHONDROITINASE B PEDOBACTER HEPARINUS ACTIVE SITE BETA-ELIMINATION DEMATAN SULFATE LYASE
Ref.: CRYSTAL STRUCTURE OF CHONDROITINASE B FROM FLAVOBAC HEPARINUM AND ITS COMPLEX WITH A DISACCHARIDE PRODU A RESOLUTION. J.MOL.BIOL. V. 294 1257 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN GCU RAM XYP MXY G4D BGC A:507;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NGA GC4 SO4 A:514;
Valid;
none;
submit data
459.381 n/a [S+2]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OFL 1.7 Å EC: 4.2.2.4 CRYSTAL STRUCTURE OF CHONDROITINASE B COMPLEXED TO DERMATAN SULFATE HEXASACCHARIDE PEDOBACTER HEPARINUS ACTIVE SITE BETA-ELIMINATION DEMATAN SULFATE LYASE
Ref.: THE STRUCTURE OF CHONDROITIN B LYASE COMPLEXED WITH GLYCOSAMINOGLYCAN OLIGOSACCHARIDES UNRAVELS A CALCIUM-DEPENDENT CATALYTIC MACHINERY J.BIOL.CHEM. V. 279 32882 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OFL - NGK GCD n/a n/a
2 1DBO - NGA GC4 SO4 n/a n/a
3 1OFM - ASG BDP ASG GCD n/a n/a
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 1OFL - NGK GCD n/a n/a
2 1DBO - NGA GC4 SO4 n/a n/a
3 1OFM - ASG BDP ASG GCD n/a n/a
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 1OFL - NGK GCD n/a n/a
2 1DBO - NGA GC4 SO4 n/a n/a
3 1OFM - ASG BDP ASG GCD n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGA GC4 SO4; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA GC4 SO4 1 1
2 ASG GCD 1 1
3 GC4 NAG 0.684211 0.754098
4 ASG BDP GCD NG6 0.615385 0.9375
5 ASG IDR IDR ASG 0.580645 0.90625
6 GCD ASG 0.568182 0.920635
7 NGK GCD 0.568182 0.920635
8 ASG BDP ASG GCD 0.5 0.892308
9 FUC NDG GAL 0.449438 0.709677
10 GAL NAG FUC 0.449438 0.709677
11 GAL NDG FUC 0.449438 0.709677
12 FUC NAG GAL 0.449438 0.709677
13 NAG BDP 0.44186 0.725806
14 GAL NDG FUC FUC 0.430108 0.698413
15 FUC GAL NDG FUC 0.430108 0.698413
16 BDZ 0.430108 0.698413
17 GAL NAG FUC FUC 0.430108 0.698413
18 BDP ASG BDP ASG BDP ASG 0.419643 0.880597
19 FUC NAG GAL FUC 0.414894 0.698413
20 FUC GAL NAG FUC 0.414894 0.698413
21 FUC NDG GAL FUC 0.414894 0.698413
22 BCW 0.414894 0.698413
23 G6S NAG 0.413043 0.95082
24 FUC NAG 0.411765 0.693548
25 GAL NGA 0.404762 0.721311
26 A2G GAL 0.404762 0.721311
27 GAL A2G 0.404762 0.721311
28 G4S MAG FUC 0.40404 0.890625
29 SGA MAG FUC 0.4 0.890625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OFL; Ligand: ASG GCD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ofl.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OFL; Ligand: ASG GCD; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 1ofl.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP4 GAL NAG 0.006479 0.43997 4.98753
Pocket No.: 3; Query (leader) PDB : 1OFL; Ligand: ASG GCD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ofl.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1OFL; Ligand: NGK GCD; Similar sites found: 262
This union binding pocket(no: 4) in the query (biounit: 1ofl.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3L9W AMP 0.02639 0.41742 1.21065
2 3L9W GSH 0.02413 0.41735 1.21065
3 4DQL NAP 0.03814 0.40866 1.27226
4 4ZGS NAD 0.02735 0.40839 1.29534
5 1HV9 COA 0.01227 0.42713 1.31579
6 2X4Z X4Z 0.001587 0.47953 1.35135
7 1GP6 SIN 0.01339 0.41995 1.40449
8 1GP6 QUE 0.01419 0.41995 1.40449
9 4OE4 NAD 0.006416 0.43032 1.4553
10 1COY FAD 0.032 0.4222 1.4553
11 1T90 NAD 0.01824 0.41718 1.4553
12 3LVW GSH 0.04017 0.40179 1.4553
13 4AAW R84 0.00797 0.44112 1.52505
14 2XK9 XK9 0.01843 0.41871 1.5528
15 1GUZ NAD 0.04289 0.40219 1.6129
16 4A0M NAD 0.01857 0.41978 1.6632
17 3L4S NAD 0.04509 0.40244 1.78571
18 5KF6 NAD 0.008977 0.43256 1.86235
19 1HXD BTN 0.005257 0.42211 1.86916
20 1REQ DCA 0.04801 0.40862 1.8711
21 4HWT 1B2 0.001614 0.45969 1.93705
22 5F3I 5UJ 0.01371 0.42339 1.94444
23 3VZ3 NAP 0.00276 0.45877 1.96937
24 3VZ3 SSN 0.003405 0.45873 1.96937
25 2XMY CDK 0.007035 0.46963 2.01342
26 2I6A 5I5 0.01433 0.41403 2.02899
27 4PAB THG 0.0129 0.4178 2.079
28 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.02998 0.41281 2.079
29 2YAK OSV 0.02849 0.40942 2.10526
30 3RGA LSB 0.009175 0.41672 2.12014
31 4K3P ACE GLN LEU ALA LEU PHE 0.01276 0.41839 2.18579
32 3QSB 743 0.006642 0.41819 2.18579
33 5BUK FAD 0.03499 0.41965 2.22222
34 4PYW ACE THR THR ALA ILE NH2 0.009905 0.42865 2.22772
35 2X6T NAP 0.01889 0.41948 2.2409
36 5X20 NAD 0.02674 0.41369 2.24359
37 3HAD NAD 0.02947 0.43268 2.27273
38 3VYW SAM 0.02814 0.40488 2.27273
39 1O9J NAD 0.005109 0.44282 2.2869
40 4LH0 GLV 0.03884 0.40655 2.2869
41 4YWV SSN 0.02519 0.41301 2.36559
42 3A7R LAQ 0.004563 0.45566 2.37389
43 1EWJ BLM 0.0276 0.40713 2.38095
44 4DQ2 BTX 0.0009444 0.48666 2.43902
45 1PJ6 FOL 0.009743 0.43079 2.4948
46 4WOE ADP 0.003026 0.40699 2.4948
47 3AB1 FAD 0.03641 0.41538 2.5
48 2X3N FAD 0.01186 0.44144 2.50627
49 3VHE 42Q 0.0252 0.40663 2.50696
50 3OV6 MK0 0.002528 0.46366 2.51889
51 2XGT NSS 0.02843 0.40574 2.52874
52 5W10 CMP 0.001933 0.44992 2.5641
53 1X7D NAD 0.01679 0.41756 2.57143
54 1X7D ORN 0.03689 0.41302 2.57143
55 5EW9 5VC 0.0006033 0.542 2.58303
56 5J75 6GQ 0.01481 0.40559 2.65152
57 2QIA U20 0.003085 0.47874 2.67176
58 1Q72 COC 0.009851 0.42918 2.69058
59 4I9B NAD 0.003668 0.44595 2.7027
60 1QO8 FAD 0.01592 0.44046 2.7027
61 3IES M24 0.01551 0.43072 2.7027
62 4J7Q B7N 0.02485 0.42205 2.7027
63 2XIQ MLC 0.03534 0.40932 2.7027
64 4FE2 AIR 0.0009372 0.46191 2.7451
65 1UNB PN1 0.01264 0.42191 2.89389
66 4I3V NAD 0.004666 0.44775 2.9106
67 2UUU FAD 0.03472 0.42834 2.9106
68 2UUU PL3 0.03472 0.42834 2.9106
69 3ACL 3F1 0.006196 0.42412 2.9106
70 4YZC STU 0.04116 0.40153 2.96296
71 4BVA NDP 0.03257 0.40862 2.98507
72 4BVA T3 0.04547 0.40338 2.98507
73 1SSQ CYS 0.01594 0.42568 2.99625
74 1YQD NAP 0.0128 0.43378 3.00546
75 2Y6Q I7T 0.001755 0.49468 3.01508
76 1YKD CMP 0.006813 0.42886 3.01508
77 4LOO SB4 0.01115 0.40925 3.04709
78 1YBH FAD 0.03323 0.42211 3.1185
79 4MNS 2AX 0.03075 0.4156 3.14465
80 2D2I NAP 0.01479 0.42625 3.15789
81 5F6U 5VK 0.001305 0.44014 3.18471
82 5N87 N66 0.02159 0.42044 3.19489
83 5D9G GLU ASN LEU TYR PHE GLN 0.0003091 0.43192 3.25203
84 1VJY 460 0.01925 0.41303 3.30033
85 3KLJ FAD 0.01462 0.43366 3.3264
86 4ANW O92 0.01069 0.42988 3.3264
87 1M15 ARG 0.01481 0.42281 3.36134
88 1M15 ADP 0.01481 0.42281 3.36134
89 1ZGA SAH 0.01147 0.41726 3.36134
90 3O9L LPN 0.04212 0.40676 3.40909
91 2Q1S NAI 0.03075 0.42422 3.44828
92 3A5Y KAA 0.0119 0.41679 3.47826
93 3OJO NAD 0.01743 0.41678 3.48028
94 3PUN FUC GAL NDG FUC 0.01023 0.40235 3.48101
95 5KJW 53C 0.0003318 0.46325 3.51288
96 4NTD FAD 0.01786 0.43093 3.52941
97 1E1O LYS 0.006369 0.43716 3.5343
98 4ZH7 FUC GAL NAG GAL FUC 0.01035 0.41283 3.5343
99 3E1T FAD 0.04409 0.40953 3.5343
100 3B20 NAD 0.01445 0.42862 3.53982
101 2RKV COA 0.01103 0.43471 3.54767
102 2RKV ZBA 0.01254 0.43471 3.54767
103 2ZKJ ADP 0.04825 0.40556 3.5533
104 1HYH NAD 0.01433 0.43102 3.55987
105 1UP7 NAD 0.005349 0.44941 3.59712
106 5HCY 60D 0.01627 0.43615 3.62538
107 1O6Z NAD 0.02934 0.40551 3.63036
108 1BC5 ACE ASN TRP GLU THR PHE 0.003406 0.43126 3.71747
109 3TWO NDP 0.01761 0.42845 3.73563
110 2RCU BUJ 0.001437 0.5005 3.7422
111 1TLL NAP 0.01339 0.42006 3.7422
112 1VCE SAH 0.0176 0.40931 3.77358
113 4J7H TLO 0.008483 0.42374 3.82166
114 5BVE 4VG 0.004933 0.47665 3.87812
115 1IYE PGU 0.01715 0.42701 3.8835
116 2WZ5 MET 0.0000899 0.43753 3.92157
117 4L3L 5FI 0.005596 0.43878 3.94737
118 3E9I XAH 0.006282 0.44247 3.9501
119 4C3Y FAD 0.01876 0.42859 3.9501
120 4C3Y ANB 0.02203 0.42859 3.9501
121 4I8P NAD 0.0127 0.4256 3.9501
122 4A1O JLN 0.03686 0.40338 3.9501
123 4CQE CQE 0.01422 0.4294 3.95683
124 2B4R NAD 0.04278 0.403 4.05797
125 2B4R AES 0.04548 0.40056 4.05797
126 3KRR DQX 0.03418 0.42064 4.0678
127 3S7O LBV 0.02062 0.42066 4.08163
128 1I8T FAD 0.02238 0.42726 4.08719
129 1NZY BCA 0.01026 0.43922 4.08922
130 1JXZ BCA 0.0112 0.43677 4.08922
131 2I7N ACO 0.02151 0.41418 4.16667
132 1ZGD NAP 0.04112 0.40227 4.16667
133 4OOE NDP 0.01262 0.42918 4.20792
134 4HZD COA 0.02998 0.40111 4.25532
135 3OZ2 FAD 0.02354 0.42451 4.28212
136 3WSJ MK1 0.02318 0.42692 4.31034
137 3RF4 FUN 0.004805 0.42322 4.31034
138 2QZ3 XYP XYP XYP 0.003368 0.45039 4.32432
139 3E2M E2M 0.006491 0.44177 4.32432
140 2RDE C2E 0.0006113 0.4678 4.38247
141 3C6K SPD 0.03978 0.41333 4.46194
142 3C6K MTA 0.03978 0.41333 4.46194
143 1T5B FMN 0.01073 0.41217 4.47761
144 3WG3 A2G GAL NAG FUC 0.01552 0.40095 4.49438
145 4MOB ADP 0.004021 0.41831 4.51807
146 5XDT MB3 0.001865 0.47901 4.54545
147 5XDT ZI7 0.007633 0.4423 4.54545
148 5TV6 PML 0.002028 0.44179 4.58333
149 4E13 NAD 0.01333 0.41511 4.59364
150 1PN4 HDC 0.00787 0.43965 4.64286
151 4O9S 2RY 0.002823 0.46155 4.65116
152 5BSH PRO 0.02385 0.4126 4.69314
153 2YKL NLD 0.001297 0.45765 4.71698
154 1S4M LUM 0.004061 0.44237 4.77816
155 1PN0 FAD 0.01588 0.43866 4.7817
156 3LZW FAD 0.02347 0.42352 4.81928
157 1N07 FMN 0.002664 0.46225 4.90798
158 4IEN GDP 0.007335 0.40956 4.90798
159 2BJK NAD 0.01526 0.42625 4.9896
160 2E0N SAH 0.01008 0.41566 5.01931
161 3CBC DBS 0.002186 0.42363 5.05051
162 2BVN ENX 0.0219 0.40798 5.08906
163 5W4W 9WG 0.01814 0.41774 5.13595
164 5UKL SIX 0.001734 0.47056 5.1975
165 5FUI APY 0.0006538 0.44234 5.30303
166 3EFS BTN 0.001949 0.45056 5.5794
167 3FW4 CAQ 0.001013 0.47917 5.61798
168 2XVD AS6 0.01477 0.41858 5.62914
169 5H9Y BGC BGC BGC BGC 0.01307 0.40438 5.63063
170 2IMP NAI 0.005667 0.45376 5.63674
171 4D3F NAP 0.01531 0.41894 5.80645
172 1I58 ACP 0.02591 0.40195 5.82011
173 5T9F TYR 0.04522 0.40626 5.90406
174 2GQS C2R 0.005173 0.42538 5.90717
175 1EZ4 NAD 0.02967 0.40665 5.97484
176 3DDC GNP 0.04307 0.40184 6.0241
177 3IWJ NAD 0.004621 0.43407 6.02911
178 2OFV 242 0.031 0.4093 6.13718
179 1EYR CDP 0.02613 0.4017 6.14035
180 4B2Z P5S 0.01891 0.42228 6.25
181 4DSU BZI 0.0001862 0.48196 6.34921
182 3L9R L9Q 0.001822 0.47763 6.36042
183 3L9R L9R 0.02302 0.41639 6.36042
184 2YVJ FAD 0.02995 0.42146 6.42202
185 1LSH PLD 0.0003103 0.51243 6.44491
186 4V24 GYR 0.03434 0.40867 6.469
187 2YNE NHW 0.0348 0.42632 6.51042
188 2YNE YNE 0.0348 0.42632 6.51042
189 3EM0 CHD 0.007435 0.45743 6.52174
190 2RC5 FAD 0.0193 0.41045 6.6879
191 3VPH NAD 0.03486 0.4107 6.77419
192 1NB9 ADP 0.01837 0.42081 6.80272
193 1NB9 RBF 0.01837 0.42081 6.80272
194 2J3M PRI 0.009474 0.42377 6.86071
195 3SAO DBH 0.001838 0.42491 6.875
196 4C0X FMN 0.00966 0.42289 6.89655
197 3E85 BSU 0.01271 0.43278 6.96203
198 3G08 FEE 0.002868 0.48413 7.07071
199 4USI ATP 0.003743 0.44938 7.14286
200 1Q0H FOM 0.04854 0.41056 7.14286
201 5J8O 6GZ 0.000365 0.49156 7.25806
202 2WME NAP 0.002175 0.45497 7.27651
203 2WOX NDP 0.005566 0.45275 7.27651
204 1UYY BGC BGC 0.003908 0.42952 7.63359
205 2QBU SAH 0.02045 0.4073 7.75862
206 5UAV TFB 0.03174 0.40554 7.76398
207 5UAV NDP 0.03174 0.40554 7.76398
208 4NJH 2K8 0.04072 0.40726 7.82609
209 5LX6 78P 0.005835 0.42195 7.8534
210 2C78 PUL 0.04283 0.41913 7.90123
211 2Y6O 1N1 0.01832 0.40514 7.90378
212 3QXV MTX 0.001582 0.45741 7.93651
213 5DQ8 FLF 0.03782 0.40068 8.33333
214 1V3S ATP 0.002575 0.45069 8.62069
215 5MW4 5JU 0.005084 0.45059 8.68263
216 3UH0 TSB 0.003874 0.44283 8.69565
217 5H9P TD2 0.0002664 0.48867 8.86076
218 3KYF 5GP 5GP 0.0006844 0.46316 9.09091
219 3QP8 HL0 0.02598 0.40142 9.23913
220 2J9D ADP 0.005655 0.43351 9.2437
221 2J9D AMP 0.01145 0.41077 9.2437
222 2J9C ATP 0.02768 0.40307 9.2437
223 4J56 FAD 0.003911 0.48046 9.64912
224 2P1O IHP 0.00226 0.46762 9.77131
225 2P1O NLA 0.00226 0.46762 9.77131
226 2P1M IHP 0.01985 0.41032 9.77131
227 2C49 ADN 0.003111 0.44614 9.93377
228 3HVJ 705 0.01835 0.42755 9.95475
229 3RY8 FLC 0.0131 0.40933 10.0313
230 2ZMF CMP 0.001975 0.45254 10.0529
231 5U98 1KX 0.001447 0.48984 10.101
232 5L2J 6UL 0.0006248 0.531 10.2041
233 5L2J 70E 0.0006604 0.531 10.2041
234 3DZ6 M8E 0.02049 0.4104 10.4478
235 1I7M CG 0.007735 0.40669 10.4478
236 2Z9C FMN 0.01633 0.41318 10.5
237 3VSV XYS 0.005122 0.42803 10.6029
238 3VSV XYP 0.007705 0.41663 10.6029
239 3FS8 TDR 0.03495 0.42519 10.6227
240 3FS8 ACO 0.0435 0.41803 10.6227
241 3HAZ NAD 0.02195 0.41034 11.2266
242 3LKJ LKJ 0.03606 0.40833 11.3475
243 1HTW ADP 0.01338 0.41453 11.3924
244 3LF0 ATP 0.004995 0.44082 11.4035
245 4Y24 TD2 0.0006199 0.47432 11.6883
246 3IWD M2T 0.007886 0.40255 11.7647
247 1WOR RED 0.0133 0.43014 11.8132
248 5CLO NS8 0.003482 0.43127 11.8644
249 2DFV NAD 0.02418 0.41448 12.3919
250 4J6W CTP 0.02408 0.41353 13.4146
251 1NCQ W11 0.019 0.40484 14.7059
252 3RUG DB6 0.006456 0.4602 15.1961
253 1GT4 UNA 0.01259 0.41112 15.7233
254 3QV1 NAD 0.04124 0.40055 15.727
255 1KGI T4A 0.0009842 0.47738 15.748
256 5HWV MBN 0.008003 0.41017 16.1538
257 3MTX PGT 0.0188 0.41064 17.2185
258 3DAA PDD 0.02144 0.40822 17.3285
259 3A5Z KAA 0.004539 0.44443 20.9424
260 1I2L DCS 0.01217 0.42015 22.3048
261 4Z9D NAD 0.02055 0.41108 25.1429
262 2UX9 FMN 0.04672 0.40389 27.5362
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