3AZT

diverse substrates recognition mechanism revealed by thermotoga maritima cel5a structures in complex with cellotetraose

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 89
  • Norm. En. per Res.: -2.7824
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-5.7403	-12.7218	-40.175	-58.6371	44	1	0	2283	5	57	42
A-C	-48.5997	-15.5058	-183.525	-247.6305	89	12	0	6869	2	40	43
A-D	0.0	0.0	-0.0524	-0.0524	2	0	0	20	0	1	2
B-D	-32.9969	23.1611	-99.0613	-108.8972	55	13	0	5483	2	43	61
C-D	-8.0756	-14.4262	-33.5279	-56.0297	39	1	0	1758	0	32	29

Interface residues

• A-B: ALA83A, ARG121A, ARG121B, ARG86A, ARG86B, ASN81A, ASN81B, ASP120A, ASP120B, ASP124A, ASP124B, ASP40B, ASP70A, ASP70B, ASP77A, ASP77B, GLU127A, GLU127B, GLU78A, GLU78B, GLY82A, GLY82B, GLY87A, GLY87B, ILE80A, LEU84A, LEU84B, LEU88A, LYS123A, LYS123B, LYS163A, LYS163B, LYS74A, LYS74B, LYS85A, LYS85B, PHE73A, PHE73B, PRO126A, PRO126B, TYR122A, TYR122B, TYR125A, TYR125B
• A-C: ALA208A, ALA208C, ALA24A, ALA24C, ALA260C, ALA60A, ALA62A, ARG110A, ARG220C, ARG258A, ARG258C, ARG265C, ARG299C, ARG55A, ARG55C, ARG71A, ASN102A, ASN140A, ASN20A, ASN20C, ASN26A, ASN26C, ASP103A, ASP261C, ASP296C, ASP29A, ASP29C, ASP70A, GLN206C, GLU106A, GLU209A, GLU209C, GLU212A, GLU212C, GLU215A, GLU215C, GLU27C, GLU98A, GLU98C, GLU99A, GLY207C, GLY213A, GLY213C, GLY219C, GLY28C, GLY291C, GLY31A, GLY31C, HIS107A, HIS205C, HIS59A, ILE68A, LEU100A, LEU218C, LEU298C, LYS216C, LYS259A, LYS259C, LYS300C, LYS35C, LYS67A, MET101A, MET69A, PHE63A, PHE72A, PHE73A, PRO25A, PRO25C, PRO64A, PRO65A, SER214C, SER290C, SER57A, THR297C, THR58A, TRP210A, TRP210C, TRP217C, TRP30A, TRP30C, TRP56A, TYR257A, TYR257C, TYR61A, TYR66A, VAL211A, VAL211C, VAL32C, VAL33C
• A-D: ARG71A, LYS229D
• B-D: ARG14D, ARG158B, ARG247B, ARG247D, ARG274D, ARG279D, ARG280D, ARG8D, ASN190B, ASN245B, ASN9D, ASP4B, ASP4D, GLU188B, GLU239D, GLU240D, GLU275D, GLU277D, GLU7B, GLU7D, GLY13D, ILE11D, ILE238D, ILE249D, LYS10D, LYS155B, LYS162B, LYS186B, LYS189B, LYS243B, LYS243D, LYS244B, LYS244D, LYS246B, LYS246D, LYS278D, MET276D, PHE6B, PHE6D, PRO185B, PRO248B, PRO248D, PRO5B, PRO5D, SER183B, SER191B, SER242B, SER242D, SER282D, TRP187B, TRP241B, TRP281D, TRP283D, VAL184B, VAL193B
• C-D: ARG220C, ARG220D, ASP226C, ASP226D, ASP227C, ASP227D, GLN206C, GLU202C, GLU202D, GLU215C, GLU215D, GLU233C, GLU233D, GLY219C, GLY219D, GLY223C, GLY223D, HIS230C, HIS230D, LEU218C, LEU218D, LYS216C, LYS216D, LYS221C, LYS221D, LYS229C, LYS229D, PHE203C, PHE203D, PRO200D, PRO225C, PRO225D, SER224C, SER224D, SER264C, TRP217C, TRP217D, TRP222C, TRP222D