3KL5

structure analysis of a xylanase from glycosyl hydrolase family thirty: carbohydrate ligand complexes reveal this family of enzymes unique mechanism of substrate specificity and recognition

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 118
  • Norm. En. per Res.: -1.8362
• Hub Node: A(2)

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	-21.3495	-31.1297	-68.3235	-120.8027	67	7	0	3526	2	21	17
A-C	0.0	0.0	-72.1656	-72.1656	64	5	3	3991	0	8	7
B-C	-36.2915	6.8358	-187.217	-216.6726	118	17	2	8304	0	25	25
C-D	-6.4035	35.1428	-119.019	-90.2798	69	8	0	4789	3	37	41

Interface residues

• A-B: ALA103B, ALA144B, ARG105B, ARG298A, ARG353A, ARG97B, ASN131A, ASN181B, ASN188B, ASN323A, ASN350A, ASN367A, ASN390A, ASN42A, ASN45A, ASN96B, ASN98B, ASP100B, ASP142B, ASP184B, ASP322A, GLN153B, GLN218B, GLN44A, GLU37A, GLY129A, GLY321A, GLY43A, GLY48A, GLY77A, GLY99B, HIS145B, HIS76A, LEU156B, LEU215B, LEU362A, LYS126A, LYS180B, LYS219B, LYS295A, LYS324A, LYS71A, LYS75A, PHE296A, PHE387A, PHE95B, PRO152B, PRO185B, PRO214B, PRO299A, PRO364A, SER102B, SER294A, SER352A, SER72A, THR101B, THR151B, THR386A, TRP149B, TRP354A, TYR143B, TYR301A, VAL297A, VAL326A, VAL388A, VAL389A, VAL74A
• A-C: ALA112A, ALA113A, ALA115A, ALA163A, ALA168A, ALA192A, ALA194A, ALA221A, ALA312C, ARG157A, ARG160A, ASN119A, ASN162A, ASN167A, ASN188A, ASN195A, ASN255C, ASN309C, ASN311C, ASN313C, ASP189A, ASP197A, ASP4C, GLN116A, GLN191A, GLN207C, GLN210C, GLN218A, GLN251C, GLU161A, GLU259C, GLY164A, GLY205C, GLY220A, GLY222A, ILE166A, LEU187A, LEU193A, LYS180C, LYS219A, LYS223A, LYS308C, LYS332C, MET159A, MET196A, PHE158A, PHE211C, PRO190A, PRO212C, PRO214C, PRO310C, SER165A, SER209C, SER333C, SER3C, THR206C, THR307C, THR6C, TYR111A, TYR232C, TYR315C, VAL208C, VAL314C, VAL5C
• B-C: ALA11C, ALA134C, ALA163C, ALA168C, ALA194C, ALA221C, ALA312B, ALA381B, ARG169C, ARG17C, ARG242B, ARG298C, ARG303B, ARG303C, ASN119C, ASN131C, ASN162C, ASN167C, ASN195C, ASN234B, ASN255B, ASN309B, ASN311B, ASN313B, ASN323C, ASN331B, ASN334B, ASN338B, ASN345C, ASN8B, ASN8C, ASP197C, ASP224C, ASP236B, ASP248B, ASP305B, ASP322C, ASP4B, GLN14C, GLN191C, GLN207B, GLN210B, GLN218B, GLN218C, GLN251B, GLN263C, GLN339B, GLN344B, GLN382B, GLU12C, GLU245B, GLU259B, GLY164C, GLY205B, GLY220C, GLY222C, GLY300C, GLY321C, GLY336B, GLY77C, HIS252B, HIS378B, ILE135C, ILE166C, ILE16C, ILE198C, ILE79C, LEU132C, LEU193C, LEU199C, LEU215C, LEU225C, LEU379B, LYS126C, LYS13B, LYS13C, LYS217B, LYS217C, LYS219C, LYS223C, LYS308B, LYS320C, LYS332B, MET196C, PHE211B, PHE216C, PRO190C, PRO212B, PRO214B, PRO214C, PRO233B, PRO244B, PRO299C, PRO310B, SER10C, SER165C, SER209B, SER333B, SER3B, SER50C, THR206B, THR307B, THR335B, THR6B, TRP226C, TRP243B, TYR133C, TYR232B, TYR301C, TYR315B, VAL122C, VAL15C, VAL170C, VAL208B, VAL258B, VAL302C, VAL314B, VAL337B
• C-D: ALA240C, ALA26C, ALA26D, ALA28C, ALA28D, ARG242C, ARG242D, ARG271C, ARG271D, ARG272C, ARG272D, ASN234C, ASN234D, ASN238C, ASN238D, ASN62C, ASN62D, ASN86D, ASP236C, ASP236D, ASP241C, ASP280C, ASP280D, ASP30C, ASP30D, ASP57C, ASP57D, GLN35C, GLU146C, GLU146D, GLU245C, GLU279C, GLU279D, GLY281C, GLY281D, GLY29C, GLY29D, HIS145D, HIS24C, HIS24D, HIS55C, HIS55D, LYS278C, LYS278D, LYS65C, LYS65D, PRO25C, PRO25D, SER239C, SER239D, SER273C, SER273D, THR237C, THR237D, THR282D, THR32C, THR32D, TRP147C, TRP147D, TRP268C, TRP268D, TRP27C, TRP27D, TRP85D, TYR269C, TYR269D, TYR274C, TYR274D, TYR64C