3MP4

crystal structure of human lyase r41m mutant

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 129
  • Norm. En. per Res.: -2.9706
• 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	-22.4686	-12.1406	-348.604	-383.2132	129	21	17	13754	2	10	14
A-C	-10.5981	0.0	-50.3741	-60.9722	49	3	0	2806	0	8	12
B-F	-7.2875	-1.9912	-5.3553	-14.6341	18	1	0	441	1	14	14
C-D	-19.9577	-13.0619	-348.603	-381.6226	130	10	17	13739	2	10	13
D-E	0.0	3.4672	-122.3	-118.8328	79	4	0	5206	0	16	24
E-F	-21.6351	-13.9005	-304.389	-339.9246	124	15	15	12674	2	10	13

Interface residues

• A-B: ALA241A, ALA241B, ALA243A, ALA243B, ALA248A, ALA269A, ALA269B, ALA272A, ALA272B, ALA277A, ALA277B, ALA319A, ALA319B, ALA321A, ALA321B, ASN244A, ASN244B, ASN275A, ASN275B, ASP204A, ASP204B, ASP236A, ASP236B, ASP280A, ASP280B, CYS266A, CYS266B, CYS323A, CYS323B, GLN240A, GLN240B, GLN250A, GLN250B, GLN270A, GLN270B, GLN320A, GLN320B, GLU279A, GLU279B, GLU286A, GLU286B, GLY207A, GLY207B, GLY209A, GLY209B, GLY212A, GLY212B, GLY239A, GLY239B, GLY262A, GLY262B, GLY271A, GLY271B, GLY274A, GLY274B, GLY287A, GLY287B, GLY289A, GLY289B, HIS235A, HIS235B, ILE206A, ILE206B, ILE213A, ILE213B, ILE290A, ILE290B, LEU242A, LEU242B, LEU246A, LEU246B, LEU249A, LEU249B, LEU276A, LEU276B, LEU281A, LEU281B, LEU285A, LEU285B, LEU288A, LEU288B, LEU296A, LEU296B, LEU29A, LEU29B, LEU300A, LEU300B, LYS179A, LYS179B, LYS215A, LYS215B, LYS317A, LYS317B, MET214A, MET214B, MET247A, MET247B, MET251B, MET284A, MET284B, PRO211A, PRO211B, SER273A, SER273B, SER315A, SER315B, SER316A, SER316B, THR210A, THR210B, THR237A, THR237B, THR245A, THR245B, THR28A, THR28B, THR322A, THR322B, TYR238A, TYR238B, TYR268B, TYR283A, TYR283B, VAL208A, VAL208B, VAL282A, VAL282B, VAL318A, VAL318B
• A-C: ALA115A, ALA116A, ALA118A, ALA119A, ALA121A, ALA156A, ALA157A, ALA160A, ALA228A, ARG149C, ASN102A, ASN109C, ASN138C, ASN140C, ASN161A, CYS141C, GLN158A, GLU114A, GLU123A, GLU145C, GLY100A, GLY112C, GLY120A, ILE101A, ILE139C, ILE162A, LEU110C, LYS111C, LYS122A, LYS136C, LYS137C, LYS155A, LYS34A, LYS80C, PHE127C, PRO108C, PRO267C, PRO99A, SER159A, SER163A, SER78C, TRP81C, TYR176C, TYR193A, TYR198A, TYR268C, VAL117A, VAL164A, VAL77C
• B-F: ALA118F, ALA119F, ALA183B, GLN96F, GLU132B, GLU144B, GLU187B, GLU90F, GLY94F, ILE57F, ILE95F, LYS184B, LYS191B, LYS93F, LYS97F, PRO182B, SER181B, THR89F
• C-D: ALA241C, ALA241D, ALA243C, ALA243D, ALA269C, ALA269D, ALA272C, ALA272D, ALA277C, ALA277D, ALA319C, ALA319D, ALA321C, ALA321D, ASN244C, ASN244D, ASN275C, ASN275D, ASP204C, ASP204D, ASP216C, ASP236C, ASP236D, ASP280C, ASP280D, CYS266C, CYS266D, CYS323C, CYS323D, GLN240C, GLN240D, GLN250C, GLN250D, GLN270C, GLN270D, GLN320C, GLN320D, GLU279C, GLU279D, GLU286C, GLU286D, GLY207C, GLY207D, GLY209C, GLY209D, GLY212C, GLY212D, GLY239C, GLY239D, GLY262C, GLY262D, GLY271C, GLY271D, GLY274C, GLY274D, GLY287C, GLY287D, GLY289C, GLY289D, HIS235D, ILE206C, ILE206D, ILE213C, ILE213D, ILE290C, ILE290D, LEU242C, LEU242D, LEU246C, LEU246D, LEU249C, LEU249D, LEU276C, LEU276D, LEU281C, LEU281D, LEU285C, LEU285D, LEU288C, LEU288D, LEU296C, LEU296D, LEU29C, LEU29D, LEU300C, LEU300D, LYS179D, LYS215C, LYS215D, LYS313D, LYS317C, LYS317D, MET214C, MET214D, MET247C, MET247D, MET251C, MET251D, MET284C, MET284D, PRO211C, PRO211D, SER273C, SER273D, SER315C, SER315D, SER316C, SER316D, THR210C, THR210D, THR237C, THR237D, THR245C, THR245D, THR28C, THR28D, THR322C, THR322D, TYR238C, TYR238D, TYR268C, TYR268D, TYR283C, TYR283D, VAL208C, VAL208D, VAL282C, VAL282D, VAL318C, VAL318D
• D-E: ALA116D, ALA118D, ALA119D, ALA121D, ALA156D, ALA157D, ALA160D, ALA228D, ALA269E, ARG149E, ARG165D, ARG32D, ASN102D, ASN109E, ASN138E, ASN140E, ASN161D, ASN46E, CYS141E, CYS174E, CYS266E, GLN158D, GLU123D, GLU145E, GLU177E, GLU199D, GLY100D, GLY112E, GLY120D, GLY178E, GLY293D, GLY67D, HIS291D, ILE101D, ILE139E, ILE153E, ILE162D, LEU110E, LEU133E, LEU68D, LEU92D, LYS111E, LYS122D, LYS136E, LYS137E, LYS34D, LYS80E, LYS93D, LYS97D, PHE113E, PHE134E, PHE76E, PHE98D, PRO104D, PRO108E, PRO175E, PRO267E, PRO79E, PRO83E, PRO99D, SER142E, SER159D, SER163D, SER69D, SER78E, THR292D, THR89D, TRP81E, TYR176E, TYR193D, TYR198D, TYR268E, VAL117D, VAL124D, VAL164D, VAL33D, VAL70D, VAL77E, VAL82E
• E-F: ALA241E, ALA241F, ALA243E, ALA243F, ALA248E, ALA248F, ALA269E, ALA272E, ALA272F, ALA277E, ALA277F, ALA319E, ALA319F, ALA321E, ALA321F, ASN244E, ASN244F, ASN275E, ASN275F, ASP204E, ASP204F, ASP236E, ASP236F, ASP280E, ASP280F, CYS266E, CYS323E, CYS323F, GLN240E, GLN240F, GLN250E, GLN250F, GLN270E, GLN320E, GLN320F, GLU279E, GLU279F, GLU286E, GLU286F, GLY207E, GLY207F, GLY209E, GLY209F, GLY212E, GLY212F, GLY239E, GLY239F, GLY262F, GLY271E, GLY274E, GLY274F, GLY287E, GLY287F, GLY289E, GLY289F, HIS235E, ILE206E, ILE206F, ILE213E, ILE213F, ILE290E, ILE290F, LEU242E, LEU242F, LEU246E, LEU246F, LEU249E, LEU249F, LEU276E, LEU276F, LEU281E, LEU281F, LEU285E, LEU285F, LEU288E, LEU288F, LEU296E, LEU296F, LEU29E, LEU29F, LEU300E, LEU300F, LYS179E, LYS179F, LYS215E, LYS215F, LYS317E, LYS317F, MET214E, MET214F, MET247E, MET247F, MET251F, MET284E, MET284F, PRO211E, PRO211F, SER273E, SER273F, SER315E, SER315F, SER316E, SER316F, THR210E, THR210F, THR237E, THR237F, THR245E, THR245F, THR28E, THR28F, THR322E, THR322F, TYR238E, TYR238F, TYR268E, TYR283E, TYR283F, VAL208E, VAL208F, VAL282E, VAL282F, VAL318E, VAL318F