1TZM

crystal structure of acc deaminase complexed with substrate analog b- chloro-d-alanine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 20
  • Norm. En. per Res.: -4.0591
• 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	-75.7426	-20.5103	-500.302	-596.5549	167	19	16	20412	0	29	37
A-C	-24.126	-23.3955	-33.6603	-81.1818	20	3	3	1352	8	10	3
A-D	-11.1976	-8.2842	-137.237	-156.7189	62	4	7	5084	0	14	12
B-C	-22.435	-27.3401	-154.73	-204.5051	65	4	7	5764	4	14	15
B-D	-19.991	-26.8737	-36.0132	-82.8779	21	0	2	1392	8	6	3
C-D	-68.6274	-12.2519	-510.282	-591.1614	169	21	16	20741	0	28	39

Interface residues

• A-B: ALA108A, ALA108B, ALA124A, ALA124B, ALA22A, ALA22B, ALA283A, ALA283B, ALA327A, ALA327B, ALA46A, ALA46B, ALA85A, ALA85B, ALA86A, ALA86B, ALA88A, ALA88B, ALA89A, ALA89B, ARG112A, ARG112B, ARG120A, ARG120B, ARG23A, ARG23B, ARG280A, ARG280B, ARG284A, ARG284B, ARG336A, ARG336B, ARG38A, ARG38B, ARG82A, ARG82B, ASN115A, ASN115B, ASN329A, ASN329B, ASN42A, ASN42B, ASP107A, ASP107B, ASP111A, ASP111B, ASP291A, ASP291B, ASP337A, ASP337B, ASP40A, ASP40B, CYS282A, CYS282B, CYS41A, CYS41B, GLN117A, GLN117B, GLN19A, GLN19B, GLN77A, GLN77B, GLU286A, GLU286B, GLY114A, GLY114B, GLY123A, GLY123B, GLY287A, GLY287B, GLY323A, GLY323B, GLY324A, GLY324B, GLY330A, GLY330B, GLY338A, GLY338B, GLY44A, GLY44B, GLY48A, GLY48B, GLY92A, GLY92B, HIS321A, HIS321B, HIS90A, HIS90B, ILE116A, ILE116B, ILE121A, ILE121B, ILE18A, ILE18B, ILE279A, ILE279B, ILE334A, ILE334B, LEU11A, LEU11B, LEU122A, LEU122B, LEU128A, LEU128B, LEU21A, LEU21B, LEU276A, LEU276B, LEU281A, LEU281B, LEU289A, LEU289B, LEU328A, LEU328B, LEU45A, LEU45B, LEU91A, LEU91B, LYS26A, LYS94A, MET118A, MET118B, MET288A, MET288B, MET93A, MET93B, PHE13A, PHE13B, PHE333A, PHE333B, PHE335A, PHE335B, PHE47A, PHE47B, PRO17A, PRO17B, PRO20A, PRO20B, PRO292A, PRO292B, PRO326A, PRO326B, SER119A, SER119B, SER332A, SER332B, SER43A, SER43B, THR12A, THR12B, THR285A, THR285B, THR290A, THR290B, TYR331A, TYR331B, TYR9A, VAL109A, VAL109B, VAL113A, VAL113B, VAL126A, VAL126B, VAL325A, VAL325B, VAL87A, VAL87B
• A-C: ALA108A, ALA108C, ARG112A, ARG112C, ARG120A, ARG120C, ASP107A, ASP107C, ASP111A, ASP111C, ILE76A, ILE76C, LEU128A, LEU128C, TYR110A, TYR110C, VAL109A, VAL109C, VAL113A, VAL113C
• A-D: ALA108A, ALA108D, ARG112A, ARG112D, ARG120D, ARG280D, ARG336A, ARG336D, ASN101A, ASN101D, ASN104A, ASN104D, ASN329A, ASN329D, ASP107A, ASP107D, ASP111A, ASP111D, ASP131A, ASP337A, ASP337D, GLU100A, GLU100D, GLU273D, GLY330A, GLY330D, GLY338D, ILE116A, ILE116D, ILE334A, ILE334D, ILE76A, ILE76D, LEU128A, LEU128D, LEU270A, LEU270D, PHE333A, PHE333D, PHE335A, PHE335D, PRO130A, PRO271A, PRO271D, SER106A, SER106D, SER332A, SER332D, TYR105A, TYR105D, TYR110A, TYR110D, TYR331A, TYR331D, VAL103A, VAL103D, VAL109A, VAL109D, VAL113A, VAL113D, VAL129A, VAL129D
• B-C: ALA108B, ALA108C, ARG112B, ARG112C, ARG120B, ARG120C, ARG280B, ARG336B, ARG336C, ASN101B, ASN101C, ASN104B, ASN329B, ASN329C, ASP107B, ASP107C, ASP111B, ASP111C, ASP131C, ASP337B, ASP337C, GLU100B, GLU100C, GLU273B, GLY132C, GLY330B, GLY330C, GLY338B, ILE116B, ILE116C, ILE334B, ILE334C, ILE76B, ILE76C, LEU128B, LEU128C, LEU270B, LEU270C, LEU276B, PHE133C, PHE333B, PHE333C, PHE335B, PHE335C, PRO130C, PRO271B, PRO271C, SER106B, SER106C, SER332B, SER332C, TYR105B, TYR105C, TYR110B, TYR110C, TYR331B, TYR331C, VAL103B, VAL103C, VAL109B, VAL109C, VAL113B, VAL113C, VAL129B, VAL129C
• B-D: ALA108B, ALA108D, ARG112B, ARG112D, ARG120B, ARG120D, ASP107B, ASP107D, ASP111B, ASP111D, ILE116D, ILE76B, LEU128B, LEU128D, SER106D, TYR110B, TYR110D, VAL109B, VAL109D, VAL113B, VAL113D
• C-D: ALA108C, ALA108D, ALA124C, ALA124D, ALA22C, ALA22D, ALA283C, ALA283D, ALA327C, ALA327D, ALA36C, ALA36D, ALA46C, ALA46D, ALA85C, ALA85D, ALA86C, ALA86D, ALA88C, ALA88D, ALA89C, ALA89D, ARG112C, ARG112D, ARG120C, ARG120D, ARG23C, ARG23D, ARG280C, ARG280D, ARG284C, ARG284D, ARG336C, ARG336D, ARG38C, ARG38D, ARG82C, ARG82D, ASN115C, ASN115D, ASN329C, ASN329D, ASN42C, ASN42D, ASP107C, ASP107D, ASP111C, ASP111D, ASP291C, ASP291D, ASP337C, ASP337D, ASP40C, ASP40D, CYS282C, CYS282D, CYS41C, CYS41D, GLN117C, GLN117D, GLN19C, GLN19D, GLN77C, GLN77D, GLU286C, GLU286D, GLY114C, GLY114D, GLY123C, GLY123D, GLY287C, GLY287D, GLY323C, GLY323D, GLY324C, GLY324D, GLY330C, GLY330D, GLY338C, GLY338D, GLY44C, GLY44D, GLY48C, GLY48D, GLY92C, GLY92D, HIS321C, HIS321D, HIS90C, HIS90D, ILE116C, ILE116D, ILE121C, ILE121D, ILE18C, ILE18D, ILE279C, ILE279D, ILE334C, ILE334D, LEU11C, LEU11D, LEU122C, LEU122D, LEU128D, LEU21C, LEU21D, LEU276C, LEU276D, LEU281C, LEU281D, LEU289C, LEU289D, LEU328C, LEU328D, LEU45C, LEU45D, LEU91C, LEU91D, LYS26D, LYS94C, LYS94D, MET118C, MET118D, MET288C, MET288D, MET93C, MET93D, PHE13C, PHE13D, PHE333C, PHE333D, PHE335C, PHE335D, PHE47C, PHE47D, PRO17C, PRO17D, PRO20C, PRO20D, PRO292C, PRO292D, PRO326C, PRO326D, SER119C, SER119D, SER332C, SER332D, SER43C, SER43D, THR12C, THR12D, THR285C, THR285D, THR290C, THR290D, TYR331C, TYR331D, TYR9D, VAL109C, VAL109D, VAL113C, VAL113D, VAL126C, VAL126D, VAL325C, VAL325D, VAL87C, VAL87D