2I3A

crystal structure of n-acetyl-gamma-glutamyl-phosphate reductase (rv1652) from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 73
  • Norm. En. per Res.: -4.5034
• 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	-38.3638	4.2115	-288.314	-322.4663	136	4	5	12003	0	10	20
A-C	-34.0068	-52.3928	-199.594	-285.9936	74	6	11	8004	4	19	11
A-D	-43.7151	-30.0404	-367.517	-441.2725	176	17	41	17911	7	33	15
B-C	-61.7678	-33.1183	-377.138	-472.0241	180	8	40	17914	10	33	15
B-D	-62.7326	-61.7675	-204.249	-328.7491	73	9	11	8052	4	20	12
C-D	-39.0201	4.1827	-277.702	-312.5394	137	4	5	11706	0	10	22

Interface residues

• A-B: ALA21A, ALA21B, ALA246A, ALA246B, ALA292A, ALA292B, ALA298A, ALA298B, ALA299A, ALA299B, ALA351A, ALA351B, ALA66A, ALA66B, ARG193A, ARG193B, ARG248A, ARG248B, ARG27A, ARG27B, ARG289A, ARG289B, ASN320A, ASN320B, ASP319A, ASP319B, GLN286A, GLN286B, GLU24A, GLU24B, GLU284A, GLU57A, GLU57B, GLY190A, GLY190B, GLY19A, GLY19B, GLY206A, GLY206B, GLY23A, GLY23B, GLY285A, GLY291A, GLY291B, GLY295A, GLY295B, GLY31A, GLY31B, GLY349A, GLY349B, GLY56A, GLY56B, HIS300A, HIS300B, HIS58A, HIS58B, HIS59A, HIS59B, HIS61A, HIS61B, HIS67A, HIS67B, ILE205A, ILE205B, ILE279A, ILE279B, ILE294A, ILE294B, LEU26A, LEU26B, LEU281A, LEU281B, LEU287A, LEU287B, LEU28A, LEU28B, LEU30A, LEU30B, LEU321A, LEU321B, LEU55A, LEU55B, LEU62A, LEU62B, LEU65A, LEU65B, MET282A, MET282B, PRO245A, PRO245B, PRO277A, PRO277B, PRO283A, PRO283B, PRO288A, PRO288B, PRO352A, PRO352B, PRO60A, PRO60B, PRO64A, PRO64B, SER189A, SER189B, SER247A, SER247B, SER296A, SER296B, SER346A, SER346B, SER53A, SER53B, THR188A, THR188B, THR290A, THR290B, THR54A, THR54B, THR63A, THR63B, TYR20A, TYR20B, TYR280A, TYR280B, TYR35A, TYR35B, VAL293A, VAL293B, VAL322A, VAL322B, VAL347A, VAL347B, VAL348A, VAL348B, VAL350A, VAL350B
• A-C: ALA191A, ALA191C, ALA194A, ALA194C, ALA195A, ALA195C, ALA202A, ALA202C, ALA246A, ALA246C, ARG193A, ARG193C, ARG209A, ARG209C, ARG248A, ARG248C, ASN320A, ASN320C, ASP198A, ASP198C, GLU203A, GLU203C, GLU57A, GLU57C, GLY187A, GLY187C, GLY190A, GLY190C, GLY192A, GLY192C, GLY19C, GLY201A, GLY201C, GLY206A, GLY206C, HIS58A, HIS58C, HIS59A, HIS59C, HIS61C, ILE205A, ILE205C, ILE244A, ILE244C, LEU199A, LEU199C, LEU200A, LEU200C, LEU243A, LEU243C, LEU321A, LEU321C, PRO245A, PRO245C, PRO60A, PRO60C, SER189A, SER189C, SER18A, SER18C, SER207A, SER207C, SER247A, SER247C, THR188A, THR188C, THR196A, THR196C, THR197A, THR197C, TYR20A, TYR20C, VAL204A, VAL204C
• A-D: ALA179A, ALA179D, ALA184A, ALA184D, ALA202A, ALA202D, ALA208A, ALA208D, ALA210A, ALA210D, ALA214A, ALA214D, ALA224A, ALA224D, ALA246A, ALA246D, ALA252A, ALA252D, ALA256A, ALA256D, ALA292A, ALA292D, ALA302A, ALA302D, ALA304A, ALA304D, ALA309A, ALA309D, ALA314A, ALA314D, ALA316A, ALA316D, ALA317A, ALA317D, ALA351A, ALA351D, ARG123A, ARG123D, ARG209A, ARG209D, ARG228A, ARG228D, ARG248A, ARG248D, ARG257A, ARG257D, ARG289A, ARG289D, ASN212A, ASN212D, ASP198A, ASP198D, ASP306A, ASP306D, ASP308A, ASP308D, CYS254A, CYS254D, GLN286A, GLN286D, GLN310A, GLN310D, GLU177A, GLU203A, GLU203D, GLU307A, GLU307D, GLY187A, GLY187D, GLY201A, GLY201D, GLY206A, GLY206D, GLY215A, GLY215D, GLY249A, GLY249D, GLY285D, GLY291A, GLY291D, HIS217A, HIS217D, ILE205A, ILE205D, ILE213A, ILE213D, ILE244A, ILE244D, ILE250A, ILE250D, ILE294A, ILE294D, ILE315A, ILE315D, LEU199A, LEU199D, LEU243A, LEU243D, LEU251A, LEU251D, LEU262A, LEU262D, LEU287A, LEU287D, PHE124A, PHE124D, PHE239A, PHE239D, PHE312A, PHE312D, PRO178A, PRO221A, PRO221D, PRO241A, PRO241D, PRO245A, PRO245D, PRO288A, PRO288D, PRO352A, PRO352D, SER186A, SER186D, SER207A, SER207D, SER236A, SER236D, SER238A, SER238D, SER247A, SER247D, THR181A, THR181D, THR197A, THR197D, THR220A, THR220D, THR240A, THR240D, THR253A, THR253D, THR255A, THR255D, THR290A, THR290D, THR311A, THR311D, TYR211A, TYR211D, VAL120A, VAL180A, VAL180D, VAL182A, VAL182D, VAL183A, VAL183D, VAL185A, VAL185D, VAL204A, VAL204D, VAL216A, VAL216D, VAL235A, VAL235D, VAL237A, VAL237D, VAL242A, VAL242D, VAL293A, VAL293D, VAL303A, VAL303D, VAL305A, VAL305D, VAL313A, VAL313D
• B-C: ALA179B, ALA179C, ALA184B, ALA184C, ALA202B, ALA202C, ALA208B, ALA208C, ALA210B, ALA210C, ALA214B, ALA214C, ALA224B, ALA224C, ALA246B, ALA246C, ALA252B, ALA252C, ALA256B, ALA256C, ALA292B, ALA292C, ALA302B, ALA302C, ALA304B, ALA304C, ALA309B, ALA309C, ALA314B, ALA314C, ALA316B, ALA316C, ALA317B, ALA317C, ALA351B, ALA351C, ARG123B, ARG123C, ARG209B, ARG209C, ARG228B, ARG228C, ARG248B, ARG248C, ARG257B, ARG257C, ARG266C, ARG289B, ARG289C, ASN212B, ASN212C, ASP198B, ASP198C, ASP306B, ASP306C, ASP308B, ASP308C, CYS254B, CYS254C, GLN286B, GLN286C, GLN310B, GLN310C, GLU177B, GLU203B, GLU203C, GLU307B, GLU307C, GLY187B, GLY187C, GLY201B, GLY201C, GLY206B, GLY206C, GLY215B, GLY215C, GLY249B, GLY249C, GLY285B, GLY291B, GLY291C, HIS217B, HIS217C, ILE205B, ILE205C, ILE213B, ILE213C, ILE244B, ILE244C, ILE250B, ILE250C, ILE294B, ILE294C, ILE315B, ILE315C, LEU199B, LEU199C, LEU200B, LEU200C, LEU243B, LEU243C, LEU251B, LEU251C, LEU262B, LEU262C, LEU287B, LEU287C, PHE124B, PHE124C, PHE239B, PHE239C, PHE312B, PHE312C, PRO178B, PRO221B, PRO221C, PRO241B, PRO241C, PRO245B, PRO245C, PRO288B, PRO288C, PRO352B, PRO352C, SER186B, SER186C, SER207B, SER207C, SER236B, SER236C, SER238B, SER238C, SER247B, SER247C, THR181B, THR181C, THR197B, THR197C, THR220B, THR220C, THR240B, THR240C, THR253B, THR253C, THR255B, THR255C, THR290B, THR290C, THR311B, THR311C, TYR211B, TYR211C, VAL120B, VAL120C, VAL180B, VAL180C, VAL182B, VAL182C, VAL183B, VAL183C, VAL185B, VAL185C, VAL204B, VAL204C, VAL216B, VAL216C, VAL235B, VAL235C, VAL237B, VAL237C, VAL242B, VAL242C, VAL293B, VAL293C, VAL303B, VAL303C, VAL305B, VAL305C, VAL313B, VAL313C
• B-D: ALA191B, ALA191D, ALA194B, ALA194D, ALA195B, ALA195D, ALA202B, ALA202D, ALA246B, ALA246D, ARG193B, ARG193D, ARG209B, ARG209D, ARG248B, ARG248D, ASN320B, ASN320D, ASP198B, ASP198D, GLU203B, GLU203D, GLU57B, GLU57D, GLY187B, GLY187D, GLY190B, GLY190D, GLY192B, GLY192D, GLY19B, GLY19D, GLY201B, GLY201D, GLY206B, GLY206D, HIS58B, HIS58D, HIS59B, HIS59D, ILE205B, ILE205D, ILE244B, ILE244D, LEU199B, LEU199D, LEU200B, LEU200D, LEU321B, LEU321D, PRO245B, PRO245D, PRO60B, PRO60D, SER189B, SER189D, SER18B, SER18D, SER207B, SER207D, SER247B, SER247D, SER50D, THR188B, THR188D, THR196B, THR196D, THR197B, THR197D, TYR20B, TYR20D, VAL204B, VAL204D
• C-D: ALA21C, ALA21D, ALA246C, ALA246D, ALA292C, ALA292D, ALA298C, ALA298D, ALA299C, ALA299D, ALA351C, ALA351D, ALA66C, ALA66D, ARG193C, ARG193D, ARG248C, ARG248D, ARG27C, ARG27D, ARG289C, ARG289D, ASN320C, ASN320D, ASP319C, ASP319D, GLN286C, GLN286D, GLU24C, GLU24D, GLU284C, GLU57C, GLU57D, GLY190C, GLY190D, GLY192C, GLY192D, GLY19C, GLY19D, GLY206C, GLY206D, GLY23C, GLY23D, GLY285C, GLY291C, GLY291D, GLY295C, GLY295D, GLY31C, GLY31D, GLY349C, GLY349D, GLY56C, GLY56D, HIS300C, HIS300D, HIS58C, HIS58D, HIS59C, HIS59D, HIS61C, HIS61D, HIS67C, HIS67D, ILE205C, ILE205D, ILE279C, ILE279D, ILE294C, ILE294D, LEU26C, LEU26D, LEU281C, LEU281D, LEU287C, LEU287D, LEU28C, LEU28D, LEU30C, LEU30D, LEU321C, LEU321D, LEU55D, LEU62C, LEU62D, LEU65C, LEU65D, MET282C, MET282D, PHE278C, PHE278D, PRO245C, PRO245D, PRO277C, PRO277D, PRO283C, PRO283D, PRO288C, PRO288D, PRO352C, PRO352D, PRO60C, PRO60D, PRO64C, PRO64D, SER189C, SER189D, SER247C, SER247D, SER296C, SER296D, SER346C, SER346D, SER53D, THR188C, THR188D, THR290C, THR290D, THR54C, THR54D, THR63C, THR63D, TYR20C, TYR20D, TYR280C, TYR280D, TYR35D, VAL293C, VAL293D, VAL322C, VAL322D, VAL347C, VAL347D, VAL348C, VAL348D, VAL350C, VAL350D