2II1

crystal structure of acetamidase (10172637) from bacillus halodurans at 1.95 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 192
  • Norm. En. per Res.: -3.9443
• 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	0.0	-7.6595	-0.9056	-8.5651	22	0	0	238	0	11	8
A-D	-164.3232	-6.1717	-555.634	-726.1289	195	36	33	24362	7	29	34
B-C	-180.1267	-22.5559	-554.618	-757.3007	192	37	31	24271	7	29	34
B-D	0.0	0.0	-0.5694	-0.5694	15	0	0	148	0	5	3
C-D	0.0	0.0	-9.4132	-9.4132	18	0	0	478	0	0	2

Interface residues

• A-B: ALA231A, ALA236A, ARG70B, ASN244A, ASN251A, ASP173B, GLN240A, GLU141A, GLU141B, GLU16B, GLU232A, GLY140A, GLY140B, LYS15B, LYS243A, PRO139A, PRO139B, PRO150A, PRO215A, THR233A, THR247A, VAL18B
• A-D: ALA184A, ALA184D, ALA185A, ALA185D, ALA231A, ALA236A, ALA236D, ALA237A, ALA237D, ALA238A, ALA238D, ALA241A, ALA241D, ALA246A, ALA246D, ALA250A, ALA250D, ALA260A, ALA260D, ALA267A, ALA267D, ALA282A, ALA282D, ALA287A, ALA287D, ALA91A, ALA91D, ALA92A, ALA92D, ALA97A, ALA97D, ARG124A, ARG124D, ARG283A, ARG283D, ASN103A, ASN103D, ASN244A, ASN244D, ASP116A, ASP188A, ASP188D, ASP235A, ASP235D, ASP269A, ASP269D, CYS194A, CYS194D, GLN128A, GLN128D, GLN240A, GLN240D, GLN274A, GLN274D, GLU100A, GLU100D, GLU190A, GLU190D, GLU232A, GLU232D, GLU258A, GLU258D, GLU259A, GLU259D, GLU292A, GLU292D, GLY122A, GLY122D, GLY187A, GLY187D, GLY189A, GLY189D, GLY195A, GLY195D, GLY261A, GLY261D, GLY266A, GLY266D, GLY268A, GLY268D, GLY295A, GLY295D, GLY96A, GLY96D, GLY99A, GLY99D, HIS183A, HIS183D, HIS224D, HIS289A, HIS289D, ILE191A, ILE191D, ILE193A, ILE193D, ILE257A, ILE257D, ILE275A, ILE275D, LEU102A, LEU102D, LEU123A, LEU123D, LEU125A, LEU125D, LEU192A, LEU192D, LEU234A, LEU234D, LEU249A, LEU249D, LEU255A, LEU255D, LEU263A, LEU263D, LEU264A, LEU264D, LEU270A, LEU270D, LEU286A, LEU286D, LEU294A, LEU294D, LEU98A, LEU98D, LYS108A, LYS108D, LYS158A, LYS158D, LYS243A, LYS243D, LYS280A, LYS280D, LYS293A, LYS293D, PHE110A, PHE110D, PHE284A, PHE284D, PHE291A, PHE291D, PRO105A, PRO105D, PRO126A, PRO126D, PRO93A, PRO93D, SER101A, SER101D, SER104A, SER104D, SER120A, SER120D, SER256A, SER256D, SER265A, SER265D, SER273A, SER273D, SER285A, SER285D, THR106A, THR106D, THR107A, THR107D, THR121A, THR121D, THR233A, THR233D, THR242A, THR242D, THR247A, THR247D, THR253A, THR253D, THR281D, THR90A, THR90D, TYR119A, TYR119D, TYR271A, TYR271D, TYR290A, TYR290D, VAL117A, VAL117D, VAL118A, VAL196A, VAL196D, VAL239A, VAL239D, VAL272A, VAL272D, VAL276A, VAL276D
• B-C: ALA184B, ALA184C, ALA185B, ALA185C, ALA231B, ALA231C, ALA236B, ALA236C, ALA237B, ALA237C, ALA238B, ALA238C, ALA241B, ALA241C, ALA246B, ALA246C, ALA250B, ALA250C, ALA260B, ALA260C, ALA267B, ALA267C, ALA282B, ALA282C, ALA287C, ALA91B, ALA91C, ALA92B, ALA92C, ALA97B, ALA97C, ARG124B, ARG124C, ARG283B, ARG283C, ASN103B, ASN103C, ASN244B, ASN244C, ASP188B, ASP188C, ASP235B, ASP235C, ASP269B, ASP269C, CYS194B, CYS194C, GLN128B, GLN128C, GLN240B, GLN240C, GLN274B, GLN274C, GLU100B, GLU100C, GLU190B, GLU190C, GLU197C, GLU232B, GLU232C, GLU258B, GLU258C, GLU259B, GLU259C, GLU292C, GLY122B, GLY122C, GLY187B, GLY187C, GLY189B, GLY189C, GLY195B, GLY195C, GLY261B, GLY261C, GLY266B, GLY266C, GLY268B, GLY268C, GLY295B, GLY295C, GLY96B, GLY96C, GLY99B, GLY99C, HIS183B, HIS183C, HIS224B, HIS224C, HIS289B, HIS289C, ILE191B, ILE191C, ILE193B, ILE193C, ILE257B, ILE257C, ILE275B, ILE275C, LEU102B, LEU102C, LEU123B, LEU123C, LEU125B, LEU125C, LEU192B, LEU192C, LEU234B, LEU234C, LEU249B, LEU249C, LEU255B, LEU255C, LEU263B, LEU263C, LEU264B, LEU264C, LEU270B, LEU270C, LEU286B, LEU286C, LEU294B, LEU294C, LEU98B, LEU98C, LYS108B, LYS108C, LYS158B, LYS158C, LYS243B, LYS243C, LYS280B, LYS280C, LYS293B, LYS293C, PHE110B, PHE110C, PHE284B, PHE284C, PHE291B, PHE291C, PRO105B, PRO105C, PRO126B, PRO126C, PRO93B, PRO93C, SER101B, SER101C, SER104B, SER104C, SER120B, SER120C, SER256B, SER256C, SER265B, SER265C, SER273B, SER273C, SER285B, SER285C, THR106B, THR106C, THR107B, THR107C, THR233B, THR233C, THR242B, THR242C, THR247B, THR247C, THR253B, THR253C, THR281B, THR90B, THR90C, TYR119B, TYR119C, TYR271B, TYR271C, TYR290B, TYR290C, VAL117B, VAL117C, VAL196B, VAL196C, VAL239B, VAL239C, VAL272B, VAL272C, VAL276B, VAL276C
• B-D: ALA231B, ALA236B, ASN103D, GLN240B, GLU100D, GLU171B, GLU232B, GLY94D, LYS243B, PRO105D, PRO139B, PRO150B, PRO93D, SER104D, THR49D
• C-D: ALA47D, ASN103C, ASN54D, ASP52D, GLU100C, GLY94C, GLY99C, ILE51D, LEU102C, LEU48D, LEU98C, PHE53D, PRO105D, PRO93C, SER101C, SER104C, SER50D, THR49D