3FM5

x-ray crystal structure of transcriptional regulator (marr family) from rhodococcus sp. rha1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 135
  • Norm. En. per Res.: -4.5562
• 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	-13.6237	3.1105	-34.4627	-44.9759	45	4	0	1816	0	15	12
A-C	-73.7526	-45.145	-456.475	-575.3726	137	13	26	21473	2	28	24
A-D	0.0	0.0	-0.2248	-0.2248	8	0	0	47	0	3	1
B-C	-10.7891	-4.4334	-107.018	-122.2405	44	1	0	4396	0	8	9
B-D	-88.0146	-45.1868	-481.881	-615.0824	135	9	25	21239	2	26	21
C-D	0.0	-13.888	-56.2603	-70.1483	33	3	2	2579	0	7	6

Interface residues

• A-B: ALA59B, ALA60B, ARG17A, ARG36A, ARG38A, ARG56B, ARG79A, ARG92B, ASN27A, ASN54B, ASN93B, ASP65A, ASP65B, ASP74A, GLN68A, GLU75A, GLU78A, GLY12A, GLY20A, GLY34A, GLY57B, GLY63B, GLY71A, LEU105A, LEU15A, LEU30A, LEU35A, LEU64A, LEU64B, LEU72A, LEU76A, LEU81A, PHE13A, PHE144B, PRO32A, PRO66A, PRO66B, SER16A, SER39A, SER67A, THR143B, THR33A, THR61B, VAL31A, VAL70A
• A-C: ALA140A, ALA140C, ALA2A, ALA46A, ALA46C, ALA59A, ALA59C, ALA60A, ALA60C, ALA6A, ALA6C, ARG103A, ARG103C, ARG106A, ARG106C, ARG119A, ARG119C, ARG133A, ARG133C, ARG17A, ARG17C, ARG38A, ARG38C, ASN130A, ASN130C, ASP107A, ASP107C, ASP10A, ASP10C, ASP114A, ASP114C, ASP126C, ASP134A, ASP134C, ASP9A, ASP9C, CYS47A, CYS47C, GLN131A, GLN131C, GLN137A, GLN137C, GLN5A, GLN5C, GLU122A, GLU122C, GLU3A, GLU48A, GLU48C, GLY118A, GLY118C, GLY123A, GLY12A, GLY12C, GLY19A, GLY19C, GLY20A, GLY20C, GLY63A, GLY63C, HIS117A, HIS117C, ILE11A, ILE11C, ILE124A, ILE124C, ILE139A, ILE139C, LEU136A, LEU136C, LEU14A, LEU14C, LEU15A, LEU15C, LEU23A, LEU23C, LEU30A, LEU43A, LEU43C, LEU45A, LEU45C, LEU64A, LEU64C, LEU7A, LEU7C, LYS110A, LYS110C, PHE121A, PHE121C, PHE13A, PHE13C, PHE141A, PHE141C, PRO125A, PRO125C, PRO142A, PRO142C, SER138A, SER138C, SER16A, SER16C, SER41A, SER41C, SER4A, SER4C, SER8A, SER8C, THR127A, THR127C, THR135A, THR135C, THR61A, THR61C, TYR120A, TYR120C, TYR40A, TYR40C, VAL113A, VAL113C, VAL128A, VAL128C, VAL129A, VAL129C, VAL18A, VAL18C, VAL22A, VAL22C, VAL26A, VAL26C, VAL37A, VAL37C, VAL42A, VAL42C, VAL44A, VAL44C, VAL58A, VAL58C
• A-D: ARG17D, ASP65A, GLN68A, GLY24D, LYS28D, PRO66A, SER67A, TYR120D
• B-C: ALA140B, ALA25C, ALA29C, ARG133B, ARG36C, ARG38C, ARG79C, ASN130B, ASN27C, ASP134B, ASP65C, GLN131B, GLN137B, GLN49B, GLN68C, GLU75C, GLY19C, GLY20C, GLY24C, GLY34C, ILE139B, LEU136B, LEU23C, LEU30C, LEU35C, LEU64C, LEU72C, LYS28C, PHE141B, PHE144B, PRO142B, PRO32C, SER138B, SER16C, SER39C, SER41C, THR135B, THR143B, THR33C, VAL145B, VAL22C, VAL26C, VAL31C, VAL37C
• B-D: ALA140B, ALA140D, ALA46B, ALA46D, ALA59B, ALA59D, ALA60B, ALA60D, ALA6B, ALA6D, ARG103B, ARG103D, ARG106B, ARG106D, ARG119D, ARG133B, ARG133D, ARG17B, ARG17D, ARG38B, ARG38D, ASN130B, ASN130D, ASP107B, ASP107D, ASP10B, ASP10D, ASP114B, ASP114D, ASP134B, ASP134D, ASP9B, ASP9D, CYS47B, CYS47D, GLN131B, GLN131D, GLN137B, GLN137D, GLN5B, GLN5D, GLU122B, GLU122D, GLU48B, GLU48D, GLY118B, GLY118D, GLY123B, GLY12B, GLY12D, GLY19B, GLY19D, GLY20B, GLY20D, GLY24B, GLY63B, GLY63D, HIS117B, HIS117D, ILE11B, ILE11D, ILE124B, ILE124D, ILE139B, ILE139D, LEU136B, LEU136D, LEU14B, LEU14D, LEU15B, LEU15D, LEU23B, LEU23D, LEU43B, LEU43D, LEU45B, LEU45D, LEU64B, LEU64D, LEU7B, LEU7D, LYS110B, LYS110D, PHE121B, PHE121D, PHE13B, PHE13D, PHE141B, PHE141D, PHE144B, PRO125B, PRO125D, PRO142B, PRO142D, SER138B, SER138D, SER16B, SER16D, SER41B, SER41D, SER4B, SER4D, SER8B, SER8D, THR127B, THR127D, THR135B, THR135D, THR61B, THR61D, TYR120B, TYR120D, TYR40B, TYR40D, VAL113B, VAL113D, VAL128B, VAL128D, VAL129B, VAL129D, VAL145B, VAL18B, VAL18D, VAL22B, VAL22D, VAL26B, VAL26D, VAL37B, VAL37D, VAL42B, VAL42D, VAL44B, VAL44D, VAL58B, VAL58D
• C-D: ALA116C, ALA25C, ALA29C, ARG112C, ARG119C, ARG119D, ARG36C, ASN27C, ASP126D, ASP9D, GLU122D, GLU75C, GLY118D, GLY123D, GLY24C, GLY34C, HIS117D, ILE124D, LEU14D, LEU30C, LYS28C, PHE121D, PRO125D, PRO32C, SER8D, THR127D, THR33C, TYR120C, TYR120D, VAL128D, VAL129D, VAL26C, VAL31C