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Receptor
PDB id Resolution Class Description Source Keywords
1H4H 1.9 Å EC: 3.2.1.8 OLIGOSACCHARIDE-BINDING TO FAMILY 11 XYLANASES: BOTH COVALENT INTERMEDIATE AND MUTANT-PRODUCT COMPLEXES DISPLAY 2 ,5B CONFORMATIONS AT THE ACTIVE-CENTRE BACILLUS AGARADHAERENS GLYCOSIDE HYDROLASE XYLANASE OLIGOSACCHARIDE TRANSITION-STATE INTERMEDIATE MUTANT BOAT CONFORMATION
Ref.: CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLYSIS: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMEDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE. CHEM.BIOL. V. 6 483 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYS XYP A:1208;
B:1210;
C:1208;
D:1209;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
414.36 n/a O(C1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H4H 1.9 Å EC: 3.2.1.8 OLIGOSACCHARIDE-BINDING TO FAMILY 11 XYLANASES: BOTH COVALENT INTERMEDIATE AND MUTANT-PRODUCT COMPLEXES DISPLAY 2 ,5B CONFORMATIONS AT THE ACTIVE-CENTRE BACILLUS AGARADHAERENS GLYCOSIDE HYDROLASE XYLANASE OLIGOSACCHARIDE TRANSITION-STATE INTERMEDIATE MUTANT BOAT CONFORMATION
Ref.: CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLYSIS: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMEDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE. CHEM.BIOL. V. 6 483 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1H4H - XYP XYS XYP 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 29 families.
1 1H4H - XYP XYS XYP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1H4H - XYP XYS XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYS XYP; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS XYS XYS XYS 1 1
2 XYP XYP XYP XYP 1 1
3 XYP XYP XYS 1 1
4 XYS XYS XYS XYS XYS 1 1
5 XYP XYP XYP XYP XYP XYP 1 1
6 XYP XYP XYP XYP XYP XYP XYP 1 1
7 XYS XYP XYP 1 1
8 XYP XYP XYP 1 1
9 XYP XYP XYP XYS 1 1
10 XYP XYS XYP 1 1
11 XYP XYP XYP XYP XYP 1 1
12 BXP 0.904762 1
13 XYS XYP 0.904762 1
14 XYP XYS 0.904762 1
15 XYS XYS XYS 0.791667 0.969697
16 XYP XYP XYP AHR 0.590909 0.888889
17 XYS XYP AHR XYP 0.590909 0.888889
18 XYP AHR XYP XYP 0.590909 0.888889
19 AHR XYP XYP XYP 0.575758 0.888889
20 AHR XYS XYP XYP XYP 0.560606 0.888889
21 XYS XYS 0.511111 0.939394
22 XYP XYP TRS 0.508197 0.711111
23 XYP XYP GCV XYP 0.506494 0.888889
24 XYS XYS AZI 0.5 0.653061
25 XYP XYP XYP GCV 0.493506 0.888889
26 GCV XYP XYP XYS 0.493506 0.888889
27 GCV XYP XYP XYP 0.493506 0.888889
28 AHR XYP XYP 0.484848 0.888889
29 XYP XYP AHR 0.484848 0.888889
30 XYS XYP AHR 0.484848 0.888889
31 AHR XYS XYS 0.484848 0.888889
32 XYS XYS NPO 0.455882 0.615385
33 XYP XDN 0.438596 0.704545
34 XIF XYP 0.438596 0.659574
35 XYP XIF 0.438596 0.659574
36 XDN XYP 0.438596 0.704545
37 GCV XYP XYP 0.415584 0.888889
38 GLC GLC XYP 0.405797 0.911765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H4H; Ligand: XYP XYS XYP; Similar sites found with APoc: 91
This union binding pocket(no: 1) in the query (biounit: 1h4h.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4P7U 1PS None
2 3N0Y APC None
3 3C8F MT2 1.91388
4 1WUB OTP 2.24719
5 2P7Q GG6 2.25564
6 1KGI T4A 2.3622
7 2GC0 PAN 2.65957
8 5T96 79J 2.87081
9 1IS3 LAT 2.96296
10 2A1L PCW 3.34928
11 3WG3 A2G GAL NAG FUC 3.37079
12 6D61 4AA 3.58974
13 3SAO NKN 3.75
14 3BRN SRO 3.82166
15 1UU6 BGC BGC BGC BGC 3.82775
16 5JSP DQY 3.9801
17 4A34 FUL 4.08163
18 1JIF CU BLM 4.09836
19 1Y0G 8PP 4.18848
20 3AMN CBI 4.30622
21 3AMN CBK 4.30622
22 5H4R CTT 4.30622
23 4YVN EBS 4.30622
24 1PZO CBT 4.30622
25 6FKW PQQ 4.30622
26 5NIU 8YZ 4.6875
27 4RF7 ARG 4.78469
28 3AYS CT3 4.78469
29 4LED XXR 4.78469
30 5U98 1KX 5.05051
31 1W6P NDG GAL 5.22388
32 2JEN GLC GLC BGC XYS BGC XYS 5.26316
33 1ZM1 BGC BGC BGC 5.26316
34 4XCB AKG 5.26316
35 4LOC OXM 5.26316
36 2AGC DAO 5.55556
37 4WOE ADP 5.74163
38 1ZB6 GST 5.74163
39 3EEB IHP 5.74163
40 6GL0 GLC BGC BGC 5.74163
41 1ZB6 DIN 5.74163
42 1U0A BGC BGC BGC BGC 5.74163
43 5YXC CIT 5.74163
44 2Y9G LAT 6
45 2Y9G LBT 6
46 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 6.2201
47 2PYW SR1 6.2201
48 4M52 FAD 6.69856
49 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 6.69856
50 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 7.14286
51 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 7.17703
52 2BWA GLC BGC 7.17703
53 6CED EYA 7.47664
54 3WV6 GAL BGC 7.6555
55 6F5U CQN 7.7381
56 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 7.82123
57 3AGC RCC 8.61244
58 3QUZ QUV 8.61244
59 2UX9 FMN 8.69565
60 1G72 PQQ 8.69565
61 4OIT MAN 8.84956
62 5D6T NGA 9.09091
63 2Z77 HE7 9.35252
64 5MZI FAD 10.0478
65 5MZI FYK 10.0478
66 2IUW AKG 10.0478
67 1QIN GIP 10.3825
68 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 10.5263
69 3HUJ AGH 10.5263
70 5TVM PUT 10.5882
71 2HZQ STR 10.9195
72 2QL9 CIT 11.3402
73 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 12.4402
74 3SCM LGN 13.0435
75 3SCH TB6 13.1313
76 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 13.3971
77 2C42 TPP 13.8756
78 2C42 PYR 13.8756
79 3STD MQ0 13.9394
80 2D0V PQQ 15.2778
81 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 15.9292
82 4YGF AZM 16.7464
83 1KJ1 MAN 17.4312
84 5IXG OTP 17.7515
85 5UR6 8KM 18.232
86 1W6S PQQ 18.9189
87 3STK PLM 18.9394
88 2FTB OLA 19.2
89 1C1L GAL BGC 19.708
90 5K21 6QF 19.8582
91 1CEB AMH 30.6818
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