3IV6

crystal structure of putative zn-dependent alcohol dehydrogenases from rhodobacter sphaeroides.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 47
  • Norm. En. per Res.: -2.876
• 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	-6.4006	8.631	-93.1782	-90.9478	47	7	5	3960	0	15	18
A-C	-12.8612	-13.0466	-13.4149	-39.3228	29	1	0	799	2	31	34
A-D	-11.6337	-74.7917	-48.7447	-135.1701	47	6	0	2643	7	30	30
B-C	-18.1251	-16.058	-15.2945	-49.4777	27	1	0	848	4	28	23
C-D	0.0	5.8766	-75.3267	-69.4501	47	6	5	3878	0	13	14

Interface residues

• A-B: ALA221A, ALA239A, ALA83B, ARG220A, ARG256A, ARG27B, ARG54B, ASN16B, ASN229A, ASP197B, ASP216A, ASP226A, GLN17B, GLN252A, GLU217A, GLU237A, GLY194B, GLY22B, GLY232A, HIS193B, HIS225A, ILE196B, ILE21B, LEU133A, LEU195B, LEU201B, LEU222A, LEU223A, LEU236A, LYS198B, LYS238A, PHE253A, PHE55B, PRO192B, PRO199B, SER224A, SER254A, THR200B, THR20B, THR235A, TRP19B, TYR233A, TYR251A, VAL191B, VAL219A, VAL228A, VAL234A
• A-C: ALA221C, ALA230C, ARG126A, ARG126C, ARG127C, ASP171A, ASP171C, ASP174A, ASP174C, ASP226A, ASP226C, GLU123A, GLU123C, HIS178A, HIS225A, HIS225C, LYS175A, LYS210A, PRO172A, PRO172C, SER173A, SER173C, SER224C, THR121A, THR122A, THR122C, THR176A, VAL227A, VAL227C
• A-D: ALA10D, ALA167A, ALA182A, ALA81D, ALA83D, ALA85D, ARG180A, ARG206A, ARG207A, ARG207D, ARG75D, ASN16D, ASP184A, ASP197D, ASP78D, ASP79D, ASP86D, CYS77D, GLN17D, GLN74D, GLU12D, GLU181A, GLU203A, GLU203D, GLU82D, GLU9A, GLU9D, GLY15D, GLY164A, GLY183A, HIS178A, ILE14D, ILE196D, ILE3A, LEU13D, LEU201D, LEU80D, LYS168A, PHE169A, PRO199D, SER163A, SER6A, THR165A, THR200D, TRP11D, TRP204D, VAL185A
• B-C: ALA167C, ALA182C, ARG180B, ARG180C, ARG206B, ARG206C, ARG207B, ARG75B, ASP197B, ASP78B, GLN74B, GLU12B, GLU181C, GLU203B, GLU82B, GLU9B, GLU9C, GLY183C, HIS178C, LEU13B, LEU202B, LYS168C, LYS210C, PRO199B, SER6C, THR200B, THR4C
• C-D: ALA221C, ALA239C, ALA83D, ARG220C, ARG256C, ARG27D, ARG54D, ASN16D, ASN229C, ASP197D, ASP216C, GLN17D, GLN252C, GLU217C, GLU237C, GLY194D, GLY22D, GLY232C, HIS193D, HIS225C, ILE196D, ILE21D, LEU133C, LEU190D, LEU195D, LEU201D, LEU202D, LEU222C, LEU223C, LEU236C, LYS198D, LYS238C, PHE253C, PHE55D, PRO192D, PRO199D, SER224C, SER254C, THR20D, THR235C, TRP19D, TYR233C, TYR251C, VAL191D, VAL219C, VAL228C, VAL234C