2EXJ

structure of the family43 beta-xylosidase d128g mutant from geobacillus stearothermophilus in complex with xylobiose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 79
  • Norm. En. per Res.: -4.8576
• 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	0.0	0.0	-0.0442	-0.0442	9	0	0	24	0	2	3
A-C	-48.1578	-103.0667	-205.588	-356.8126	81	9	4	7659	5	35	33
A-D	-127.205	8.6416	-592.448	-711.0114	204	22	3	21665	10	94	80
B-C	-111.4325	11.9544	-575.64	-675.1182	203	29	2	21279	9	93	83
B-D	-61.2436	-100.8012	-221.706	-383.7508	79	8	4	7909	7	37	33
C-D	0.0	0.0	-0.006	-0.006	2	0	0	3	0	2	1

Interface residues

• A-B: ARG448A, ARG448B, ARG450A, ARG450B, GLU491A, GLU491B, PRO487A, PRO487B, THR489A
• A-C: ALA212A, ALA212C, ARG184A, ARG184C, ARG208A, ARG208C, ARG241A, ARG241C, ARG272A, ARG272C, ARG281A, ARG281C, ARG503A, ARG503C, ASN210A, ASN210C, ASN231A, ASN231C, ASP151C, ASP182A, ASP182C, GLN245A, GLN245C, GLN275A, GLN275C, GLU204A, GLU204C, GLU273A, GLU273C, GLU279A, GLU279C, GLY205A, GLY205C, GLY206A, GLY206C, GLY274A, GLY274C, HIS152A, HIS152C, HIS153A, HIS153C, HIS211A, HIS211C, HIS280A, HIS280C, ILE185A, ILE185C, LEU183A, LEU183C, LEU277A, LEU277C, LEU278A, LEU278C, PHE155A, PHE155C, PRO154A, PRO154C, PRO232A, PRO232C, PRO238A, PRO238C, PRO240A, PRO240C, PRO276A, PRO276C, SER236A, SER236C, THR181A, THR181C, THR186A, THR186C, THR235A, THR235C, TRP237A, TRP237C, TYR209A, TYR209C, TYR239A, TYR239C, VAL227A, VAL227C
• A-D: ARG149A, ARG149D, ARG347A, ARG347D, ARG369A, ARG369D, ARG375A, ARG375D, ARG448A, ARG448D, ARG450A, ARG516A, ARG516D, ASN104A, ASN104D, ASN123A, ASN123D, ASN143A, ASN143D, ASN522A, ASN522D, ASN63A, ASN63D, ASN67A, ASN67D, ASP101A, ASP101D, ASP147A, ASP147D, ASP151A, ASP151D, ASP444A, ASP444D, ASP517A, ASP517D, ASP69A, ASP69D, ASP91A, ASP91D, CYS438A, CYS438D, GLN161A, GLN161D, GLN378A, GLN378D, GLN404A, GLN404D, GLN405A, GLN405D, GLN416A, GLN416D, GLN422A, GLN422D, GLN445A, GLN445D, GLN521A, GLN521D, GLN98A, GLN98D, GLU173A, GLU173D, GLU370A, GLU370D, GLU427A, GLU427D, GLU428A, GLU428D, GLU434A, GLU434D, GLU451A, GLU451D, GLU96A, GLU96D, GLY102A, GLY102D, GLY126A, GLY126D, GLY172A, GLY172D, GLY368A, GLY368D, GLY430D, GLY449A, GLY449D, GLY518A, GLY518D, GLY520A, GLY520D, GLY66A, GLY66D, GLY71A, GLY71D, GLY72A, GLY72D, GLY97A, GLY97D, HIS103A, HIS103D, HIS148A, HIS148D, HIS152A, HIS152D, HIS426A, HIS426D, ILE176A, ILE176D, ILE432A, ILE432D, ILE65A, ILE65D, LEU122A, LEU122D, LEU170A, LEU170D, LEU372A, LEU372D, LEU435D, LEU441A, LEU441D, LEU59D, LYS100A, LYS100D, LYS175D, LYS179A, LYS179D, LYS429A, LYS429D, LYS93A, LYS93D, MET144A, MET144D, MET436A, MET436D, MET64A, MET64D, PHE376A, PHE376D, PHE403A, PHE403D, PRO154A, PRO154D, PRO174A, PRO174D, PRO446A, PRO446D, PRO68A, PRO68D, SER124A, SER124D, SER125A, SER125D, SER371A, SER371D, SER374A, SER374D, SER406A, SER406D, SER519A, SER519D, THR373A, THR373D, THR377A, THR377D, THR401A, THR401D, THR402A, THR402D, THR415A, THR415D, THR420A, THR420D, THR424A, THR424D, THR437A, THR437D, TRP146A, TRP146D, TRP418A, TRP418D, TRP425A, TRP425D, TRP99A, TRP99D, TYR105A, TYR121A, TYR121D, TYR145A, TYR145D, TYR156A, TYR156D, VAL150A, VAL150D, VAL159A, VAL159D, VAL442A, VAL442D, VAL443A, VAL443D, VAL92A, VAL92D, VAL94A, VAL94D, VAL95A, VAL95D
• B-C: ARG149B, ARG149C, ARG347B, ARG347C, ARG369B, ARG369C, ARG375B, ARG375C, ARG448B, ARG448C, ARG516B, ARG516C, ASN104B, ASN104C, ASN123B, ASN123C, ASN143B, ASN143C, ASN522B, ASN522C, ASN63B, ASN63C, ASN67B, ASN67C, ASP101B, ASP101C, ASP147B, ASP147C, ASP151B, ASP151C, ASP444B, ASP444C, ASP517B, ASP517C, ASP69B, ASP69C, ASP91B, ASP91C, CYS438B, CYS438C, GLN161B, GLN161C, GLN378B, GLN378C, GLN404B, GLN404C, GLN405B, GLN405C, GLN416B, GLN416C, GLN422B, GLN422C, GLN445B, GLN445C, GLN521B, GLN521C, GLN98B, GLN98C, GLU173B, GLU173C, GLU370B, GLU370C, GLU427B, GLU427C, GLU428B, GLU428C, GLU434B, GLU434C, GLU451B, GLU451C, GLU96B, GLU96C, GLY102B, GLY102C, GLY126B, GLY126C, GLY157C, GLY172B, GLY172C, GLY368B, GLY368C, GLY449B, GLY518B, GLY518C, GLY520B, GLY520C, GLY66B, GLY66C, GLY71B, GLY71C, GLY72B, GLY97B, GLY97C, HIS103B, HIS103C, HIS148B, HIS148C, HIS152B, HIS152C, HIS153C, HIS426B, HIS426C, HIS440C, ILE176B, ILE176C, ILE432B, ILE432C, ILE65B, ILE65C, LEU122B, LEU122C, LEU170B, LEU170C, LEU372B, LEU372C, LEU441B, LEU441C, LEU59B, LYS100B, LYS100C, LYS179B, LYS179C, LYS429B, LYS429C, LYS93B, LYS93C, MET144B, MET144C, MET436B, MET436C, MET64B, MET64C, PHE127C, PHE376B, PHE376C, PHE403B, PHE403C, PRO154B, PRO154C, PRO174B, PRO174C, PRO446B, PRO446C, PRO68B, PRO68C, SER124B, SER124C, SER125B, SER125C, SER371B, SER371C, SER374B, SER374C, SER406B, SER406C, SER519B, SER519C, THR373B, THR373C, THR377B, THR377C, THR401B, THR401C, THR402B, THR402C, THR415B, THR415C, THR420B, THR420C, THR424B, THR424C, THR437B, THR437C, TRP146B, TRP146C, TRP418B, TRP418C, TRP425B, TRP425C, TRP99B, TRP99C, TYR105B, TYR105C, TYR121B, TYR121C, TYR145B, TYR145C, TYR156B, TYR156C, VAL150B, VAL150C, VAL159B, VAL159C, VAL442B, VAL442C, VAL443B, VAL443C, VAL92B, VAL92C, VAL94B, VAL94C, VAL95B, VAL95C
• B-D: ALA212B, ALA212D, ARG184B, ARG184D, ARG208B, ARG208D, ARG241B, ARG241D, ARG272B, ARG272D, ARG281B, ARG281D, ARG503B, ARG503D, ASN210B, ASN210D, ASN231B, ASN231D, ASP151B, ASP151D, ASP182B, ASP182D, GLN275B, GLN275D, GLU204B, GLU204D, GLU273B, GLU273D, GLU279B, GLU279D, GLY205B, GLY205D, GLY206B, GLY206D, GLY274B, GLY274D, HIS152B, HIS152D, HIS153B, HIS153D, HIS211B, HIS211D, HIS280B, HIS280D, ILE185B, ILE185D, LEU183B, LEU183D, LEU277B, LEU277D, LEU278B, LEU278D, PHE155B, PHE155D, PRO154B, PRO154D, PRO232B, PRO232D, PRO238B, PRO238D, PRO240B, PRO240D, PRO276B, PRO276D, SER236B, SER236D, THR181B, THR181D, THR186B, THR186D, THR235B, THR235D, TRP237B, TRP237D, TYR209B, TYR209D, TYR239B, TYR239D, VAL227D
• C-D: ARG448D, GLU491C